data_1g89_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1g89 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' LEU . 9.8 pt . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.285 0.564 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' ILE . 1.0 OUTLIER -41.31 146.43 0.53 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -73.24 -169.66 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.069 1.563 . . . . 0.0 110.462 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.83 49.25 2.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.291 -0.88 . . . . 0.0 109.78 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.52 13.5 7.57 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.474 -0.766 . . . . 0.0 110.453 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.649 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 24.9 t-105 -62.7 149.85 88.16 Favored Pre-proline 0 C--N 1.293 -1.863 0 O-C-N 121.732 -0.605 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.649 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.7 Cg_endo -90.51 -168.32 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.784 1.413 . . . . 0.0 113.363 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 9.8 m95 28.12 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.58 -0.7 . . . . 0.0 111.576 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.608 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.5 t-105 -41.91 149.7 0.4 Allowed Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.438 -0.789 . . . . 0.0 110.369 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.608 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.8 Cg_endo -93.19 111.14 0.21 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.924 1.486 . . . . 0.0 110.654 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' ARG . 19.0 p90 -108.96 -168.95 1.4 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.66 53.59 0.9 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.328 -0.857 . . . . 0.0 110.245 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -55.16 -23.23 20.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.22 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.461 HG23 ' HG ' ' A' ' 2' ' ' LEU . 13.8 mm . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.337 0.589 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' O ' ' CZ2' ' A' ' 4' ' ' TRP . 54.5 mt 56.94 85.86 0.18 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.178 -0.951 . . . . 0.0 110.246 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' C ' ' CG ' ' A' ' 4' ' ' TRP . 46.7 Cg_endo -73.13 -174.78 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 124.09 1.574 . . . . 0.0 110.497 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -157.76 49.48 0.41 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.272 -0.893 . . . . 0.0 109.643 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -135.19 16.68 3.46 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.389 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 22.7 t-105 -58.69 147.9 69.32 Favored Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.596 -0.69 . . . . 0.0 110.313 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.679 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.0 Cg_endo -91.47 -167.86 0.23 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.838 1.441 . . . . 0.0 113.048 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.551 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 16.7 m95 28.17 87.79 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.629 -0.67 . . . . 0.0 111.671 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.614 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.1 t-105 -38.94 150.08 0.22 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.807 -0.558 . . . . 0.0 110.492 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.614 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.0 Cg_endo -93.16 109.73 0.2 Allowed 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 123.95 1.5 . . . . 0.0 110.782 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 17.6 p90 -108.37 -168.35 1.35 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.174 -0.954 . . . . 0.0 109.573 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -75.78 53.14 0.72 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 14' ' ' NH2 . 2.0 tmt_? -59.34 160.62 6.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.905 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.504 ' N ' ' HD3' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.902 -1.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.446 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 7.8 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.251 0.548 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 19.3 mt 60.93 73.36 0.61 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.894 . . . . 0.0 110.201 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.81 -174.8 1.62 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 123.974 1.513 . . . . 0.0 110.446 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.512 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -146.52 47.59 1.19 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.267 -0.896 . . . . 0.0 109.672 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 11.29 5.43 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.64 0.733 . . . . 0.0 110.454 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 27.2 t-105 -67.42 150.02 98.08 Favored Pre-proline 0 C--N 1.292 -1.908 0 O-C-N 121.726 -0.609 . . . . 0.0 110.406 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.646 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.0 Cg_endo -90.31 -168.3 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.82 1.432 . . . . 0.0 113.422 -178.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.574 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 10.1 m95 28.0 84.64 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 111.593 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.614 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 t-105 -41.74 149.72 0.39 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.538 -0.726 . . . . 0.0 110.355 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.614 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.7 Cg_endo -92.99 108.76 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.957 1.504 . . . . 0.0 110.801 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p90 -107.51 -167.76 1.3 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.221 -0.925 . . . . 0.0 109.591 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.18 54.0 0.53 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -60.91 86.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.169 -0.957 . . . . 0.0 110.202 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' LEU . 10.0 pt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.239 0.542 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' ILE . 2.5 pp -41.71 140.51 1.38 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -73.1 -169.42 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.027 1.541 . . . . 0.0 110.444 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.572 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 66.3 t-105 -164.06 43.83 0.1 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 110.075 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.24 14.67 7.23 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.618 0.723 . . . . 0.0 110.491 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.649 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.1 t-105 -59.25 149.56 67.64 Favored Pre-proline 0 C--N 1.292 -1.926 0 O-C-N 121.787 -0.57 . . . . 0.0 110.16 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.649 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.1 Cg_endo -90.78 -168.35 0.27 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.713 1.375 . . . . 0.0 113.422 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.569 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 15.3 m95 27.96 85.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.502 0.667 . . . . 0.0 111.712 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.612 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.4 t-105 -46.09 149.75 1.19 Allowed Pre-proline 0 N--CA 1.487 1.422 0 O-C-N 121.478 -0.764 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.612 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.9 Cg_endo -93.33 110.03 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.955 1.502 . . . . 0.0 110.632 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' ARG . 17.2 p90 -106.8 -169.82 1.62 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER 36.25 73.52 0.09 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.742 -0.599 . . . . 0.0 110.933 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 166.24 25.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 110.246 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' LEU . 9.0 pt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 2' ' ' LEU . 1.8 pp -41.48 104.01 0.33 Allowed Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.35 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.467 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 46.9 Cg_endo -72.26 -178.2 3.14 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.954 1.502 . . . . 0.0 110.398 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 3' ' ' PRO . 5.6 p90 -149.49 61.32 1.02 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.247 -0.908 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.17 13.09 6.15 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.726 0.774 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 27.4 t-105 -66.79 149.46 98.31 Favored Pre-proline 0 C--N 1.295 -1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.352 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.646 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.5 Cg_endo -90.5 -168.46 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.467 0 O-C-N 123.847 1.446 . . . . 0.0 113.429 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 11.7 m95 27.91 84.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.624 -0.673 . . . . 0.0 111.725 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.613 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.8 t-105 -43.79 150.74 0.54 Allowed Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 121.561 -0.712 . . . . 0.0 110.095 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.613 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.8 Cg_endo -92.54 107.44 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 O-C-N 123.91 1.479 . . . . 0.0 110.763 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -105.37 -169.14 1.55 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 0.0 109.621 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.7 78.79 1.65 Allowed 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.237 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 0.0 110.212 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.46 HG23 HD21 ' A' ' 2' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.46 HD21 HG23 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -42.14 136.64 2.23 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.258 -0.901 . . . . 0.0 110.166 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.88 175.79 8.53 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 O-C-N 124.085 1.571 . . . . 0.0 110.634 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.569 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 62.0 t-105 -164.2 40.97 0.09 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.775 0.798 . . . . 0.0 109.925 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.22 18.72 4.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.685 0.755 . . . . 0.0 110.336 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.687 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 13.6 t-105 -42.85 144.8 0.98 Allowed Pre-proline 0 C--N 1.29 -1.995 0 O-C-N 121.774 -0.579 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.687 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 42.8 Cg_endo -91.36 -164.13 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 121.465 1.443 . . . . 0.0 112.773 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.7 m95 29.87 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 111.066 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.603 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.8 t-105 -37.09 149.42 0.17 Allowed Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.846 -0.534 . . . . 0.0 110.563 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.603 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.4 Cg_endo -92.24 118.3 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 O-C-N 124.062 1.559 . . . . 0.0 110.597 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.504 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 21.3 p90 -112.09 -168.6 1.33 Allowed 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.3 ttt-85 -74.82 53.25 0.57 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.489 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.8 tpt180 -59.76 86.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.956 . . . . 0.0 110.114 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' LEU . 5.6 pt . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.273 0.558 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' ILE . 1.1 pp -41.31 135.08 1.9 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.807 . . . . 0.0 110.38 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.469 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 46.8 Cg_endo -73.61 -174.92 1.83 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 O-C-N 123.994 1.523 . . . . 0.0 110.336 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.578 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 62.6 t-105 -177.88 44.78 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.179 -0.951 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.76 15.86 3.1 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.676 0.75 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.641 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 28.7 t-105 -65.23 149.32 97.12 Favored Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.501 -0.749 . . . . 0.0 110.557 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 49.7 Cg_endo -90.99 -167.02 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 121.483 1.455 . . . . 0.0 113.34 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.506 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 23.2 m95 28.17 83.68 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.504 -0.747 . . . . 0.0 111.902 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.6 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.2 t-105 -43.62 150.49 0.54 Allowed Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.469 -0.769 . . . . 0.0 109.839 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.6 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.7 Cg_endo -92.31 107.71 0.23 Allowed 'Trans proline' 0 C--N 1.307 -1.642 0 O-C-N 123.931 1.49 . . . . 0.0 110.67 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -102.54 -173.37 2.31 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.43 74.22 1.17 Allowed 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.503 -0.748 . . . . 0.0 110.194 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -125.2 22.77 7.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.144 -0.973 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' LEU . 2.4 pt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.218 0.532 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 3' ' ' PRO . 3.8 pp -40.62 136.88 1.43 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.405 -0.809 . . . . 0.0 110.497 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 2' ' ' LEU . 46.3 Cg_endo -73.0 -168.84 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.95 1.5 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' CZ3' ' O ' ' A' ' 2' ' ' LEU . 1.9 p90 -152.33 63.05 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.215 -0.928 . . . . 0.0 110.359 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.02 13.36 7.28 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.747 0.784 . . . . 0.0 110.223 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.651 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 26.2 t-105 -64.53 150.1 94.19 Favored Pre-proline 0 C--N 1.295 -1.794 0 O-C-N 121.766 -0.584 . . . . 0.0 110.44 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.651 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.7 Cg_endo -90.57 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.831 1.438 . . . . 0.0 113.361 -178.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 13.1 m95 28.07 85.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.579 -0.701 . . . . 0.0 111.614 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 3.9 t-105 -40.87 149.87 0.32 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.581 -0.7 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.599 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.3 Cg_endo -93.18 107.3 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.533 0 O-C-N 123.955 1.503 . . . . 0.0 110.801 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ARG . 15.6 p90 -103.68 -170.08 1.73 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.222 -0.924 . . . . 0.0 109.488 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 36.28 59.6 0.93 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.572 -0.705 . . . . 0.0 110.757 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 52.32 171.61 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.218 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.447 ' N ' ' HG3' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.523 ' O ' ' C ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 120.778 0.323 . . . . 0.0 110.19 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER 26.61 73.09 0.37 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 122.149 -0.345 . . . . 0.0 111.479 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.09 -172.59 1.03 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 124.023 1.539 . . . . 0.0 110.479 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.82 52.57 2.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 109.796 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.77 15.84 7.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 110.334 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.645 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.3 t-105 -59.65 150.07 68.47 Favored Pre-proline 0 C--N 1.293 -1.885 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.3 Cg_endo -90.47 -168.48 0.29 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.838 1.441 . . . . 0.0 113.425 -177.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.575 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 14.0 m95 28.16 84.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.616 -0.678 . . . . 0.0 111.587 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.61 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.4 t-105 -47.07 149.65 1.59 Allowed Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.467 -0.771 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.61 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.4 Cg_endo -93.37 108.63 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 O-C-N 123.927 1.488 . . . . 0.0 110.668 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' O ' ' C ' ' A' ' 12' ' ' ARG . 16.0 p90 -105.08 -171.29 1.89 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.234 -0.916 . . . . 0.0 109.744 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 11' ' ' TRP . 3.7 ttt180 35.09 65.75 0.35 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.79 -0.569 . . . . 0.0 111.031 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.61 30.65 1.96 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' LEU . 8.8 pt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.15 0.5 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 1.9 pp -40.93 104.94 0.36 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.06 -179.18 4.08 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 123.91 1.479 . . . . 0.0 110.448 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.49 ' CZ3' ' O ' ' A' ' 2' ' ' LEU . 1.5 p90 -143.62 52.6 1.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.364 -0.835 . . . . 0.0 110.264 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.45 15.2 6.06 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 110.426 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 19.3 t-105 -53.44 150.3 12.66 Favored Pre-proline 0 C--N 1.292 -1.895 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.66 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.2 Cg_endo -89.56 -166.99 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.754 1.397 . . . . 0.0 113.333 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 7.3 m95 28.04 83.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.526 -0.734 . . . . 0.0 111.205 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.544 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 13.1 t-105 -45.85 144.85 2.58 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.524 -0.735 . . . . 0.0 111.033 -179.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.544 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 51.1 Cg_endo -95.03 116.98 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.659 1.573 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' O ' ' C ' ' A' ' 12' ' ' ARG . 19.9 p90 -109.18 -172.37 2.03 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.989 -1.069 . . . . 0.0 109.873 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER 34.92 47.18 0.24 Allowed 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.245 0.545 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 12' ' ' ARG . 11.3 mtp180 -51.56 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' LEU . 6.8 pt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.202 0.525 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 2' ' ' LEU . 2.8 pp -41.75 116.39 1.61 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.476 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 46.2 Cg_endo -72.8 -175.34 1.84 Allowed 'Trans proline' 0 C--N 1.306 -1.678 0 O-C-N 123.983 1.517 . . . . 0.0 110.41 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.476 ' CE3' ' HA ' ' A' ' 3' ' ' PRO . 4.9 p90 -150.27 62.21 0.96 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.15 -0.969 . . . . 0.0 110.361 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.38 15.88 7.14 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.725 0.774 . . . . 0.0 110.377 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.654 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 22.5 t-105 -58.2 149.89 55.39 Favored Pre-proline 0 C--N 1.293 -1.873 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.654 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.3 Cg_endo -90.56 -168.03 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.762 1.401 . . . . 0.0 113.422 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.569 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 13.1 m95 28.26 85.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.607 -0.683 . . . . 0.0 111.643 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.613 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.5 t-105 -40.02 150.37 0.26 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.647 -0.658 . . . . 0.0 110.437 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.613 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.6 Cg_endo -93.11 117.74 0.34 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 124.0 1.526 . . . . 0.0 110.631 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -111.18 -167.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.223 -0.923 . . . . 0.0 109.774 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 18.7 ptt-85 -70.25 53.77 0.14 Allowed 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.187 -0.946 . . . . 0.0 110.716 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -31.55 29.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.267 0.556 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 48.5 mt 56.17 110.0 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 110.17 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.87 173.04 12.55 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 O-C-N 123.986 1.519 . . . . 0.0 110.496 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.636 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 1.8 m95 -129.37 47.26 2.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.404 -0.81 . . . . 0.0 109.479 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -103.14 -5.41 23.26 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.793 0.806 . . . . 0.0 111.306 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 25.4 t-105 -65.28 148.93 97.64 Favored Pre-proline 0 C--N 1.286 -2.195 0 O-C-N 121.831 -0.543 . . . . 0.0 110.357 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.661 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 53.2 Cg_endo -91.6 -169.42 0.28 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.799 1.42 . . . . 0.0 113.23 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 28.5 m95 27.76 86.77 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.568 0.699 . . . . 0.0 111.63 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 7.9 t-105 -44.17 147.98 0.88 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.559 -0.713 . . . . 0.0 110.649 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.596 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 48.8 Cg_endo -94.49 108.35 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.535 0 O-C-N 124.075 1.566 . . . . 0.0 110.823 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.451 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 15.8 p90 -105.08 -168.35 1.46 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.077 -1.014 . . . . 0.0 109.622 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -75.91 52.59 0.71 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 110.513 -179.637 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 2.5 ttp180 46.43 -135.65 0.83 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.266 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.987 -1.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' LEU . 3.8 mm . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.102 0.477 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' ILE . 2.1 pp -39.95 136.23 1.27 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.293 -0.879 . . . . 0.0 110.662 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -74.29 -168.51 0.49 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 O-C-N 124.155 1.608 . . . . 0.0 110.309 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.47 58.84 1.21 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.17 -0.956 . . . . 0.0 110.155 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.63 12.26 6.33 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.471 -0.768 . . . . 0.0 110.368 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.677 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 30.2 t-105 -74.03 146.54 85.01 Favored Pre-proline 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 110.802 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.677 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 51.3 Cg_endo -92.62 -166.41 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.342 0 O-C-N 123.932 1.49 . . . . 0.0 112.758 -178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.489 ' C ' ' O ' ' A' ' 7' ' ' PRO . 39.8 m95 28.9 87.34 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.354 -0.841 . . . . 0.0 112.145 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 5.7 t-105 -39.92 149.99 0.27 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.754 -0.591 . . . . 0.0 110.517 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.7 Cg_endo -94.29 113.28 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.599 1.532 . . . . 0.0 111.127 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -115.35 -165.24 1.01 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.204 -0.935 . . . . 0.0 109.642 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -72.02 54.57 0.28 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.939 . . . . 0.0 110.29 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -52.48 12.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.242 -0.911 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.794 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.447 HD11 HG22 ' A' ' 1' ' ' ILE . 14.8 mm . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.342 0.591 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.571 ' O ' ' CZ2' ' A' ' 4' ' ' TRP . 38.6 mt 54.49 70.82 1.51 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 110.176 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.18 173.05 13.6 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.071 1.564 . . . . 0.0 110.605 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.571 ' CZ2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -146.18 43.08 1.22 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.866 0.841 . . . . 0.0 109.265 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -127.08 15.19 7.33 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.873 0.844 . . . . 0.0 110.018 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.643 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.9 t-105 -59.99 150.86 67.94 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 121.803 -0.561 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 44.7 Cg_endo -89.49 -163.88 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.568 1.512 . . . . 0.0 113.16 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 7' ' ' PRO . 8.2 m95 29.33 81.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 111.494 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -40.08 151.78 0.23 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.486 -0.759 . . . . 0.0 110.629 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.599 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 48.1 Cg_endo -94.49 123.79 0.4 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 121.772 1.648 . . . . 0.0 110.599 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 15.3 p90 -106.52 -164.83 1.03 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.138 -0.976 . . . . 0.0 109.302 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -128.21 77.73 1.79 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.51 160.96 25.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.452 HG21 ' O ' ' A' ' 1' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.669 0.747 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.428 HD22 ' O ' ' A' ' 1' ' ' ILE . 25.6 mt -135.11 110.8 10.85 Favored Pre-proline 0 C--N 1.298 -1.634 0 O-C-N 121.54 -0.725 . . . . 0.0 110.17 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.17 178.59 5.84 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.973 1.512 . . . . 0.0 110.602 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.525 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -147.19 45.46 1.15 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 109.496 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.6 14.7 9.48 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.792 0.806 . . . . 0.0 110.371 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 15.9 t-105 -47.97 151.02 1.79 Allowed Pre-proline 0 C--N 1.291 -1.956 0 O-C-N 121.831 -0.543 . . . . 0.0 110.329 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.662 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 43.5 Cg_endo -86.83 -162.71 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.49 1.46 . . . . 0.0 113.365 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' C ' ' O ' ' A' ' 7' ' ' PRO . 3.3 m95 28.99 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.222 -0.924 . . . . 0.0 111.328 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.1 t-105 -45.51 150.43 0.89 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.49 -0.756 . . . . 0.0 110.96 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 47.2 Cg_endo -94.54 114.16 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 121.83 1.686 . . . . 0.0 110.344 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' O ' ' C ' ' A' ' 12' ' ' ARG . 17.4 p90 -107.13 -167.4 1.27 Allowed 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.092 -1.005 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' TRP . 2.6 ttt180 40.99 72.95 0.14 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 110.551 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -174.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 110.272 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' LEU . 2.4 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' ILE . 1.6 pp -41.33 144.12 0.75 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.419 -0.801 . . . . 0.0 110.494 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.36 -169.13 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.996 1.524 . . . . 0.0 110.547 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -128.08 50.31 2.07 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.26 -0.9 . . . . 0.0 109.654 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 16.21 6.38 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.698 0.761 . . . . 0.0 110.424 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.1 t-105 -59.84 149.01 74.58 Favored Pre-proline 0 C--N 1.294 -1.824 0 O-C-N 121.686 -0.634 . . . . 0.0 110.162 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.662 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.2 Cg_endo -90.88 -168.19 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.759 1.4 . . . . 0.0 113.436 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 9.4 m95 27.94 85.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.636 -0.665 . . . . 0.0 111.55 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.605 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 5.7 t-105 -47.32 148.61 2.17 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.55 -0.719 . . . . 0.0 110.374 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.605 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 47.3 Cg_endo -93.35 111.54 0.21 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 123.943 1.496 . . . . 0.0 110.567 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 p90 -108.43 -169.11 1.45 Allowed 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.105 -0.997 . . . . 0.0 109.723 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.83 53.35 0.24 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.308 -0.87 . . . . 0.0 110.702 -179.611 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.47 74.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.161 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' LEU . 9.8 pt . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.285 0.564 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -41.31 146.43 0.53 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' O ' HD12 ' A' ' 2' ' ' LEU . 45.5 Cg_endo -73.24 -169.66 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.069 1.563 . . . . 0.0 110.462 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.83 49.25 2.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.291 -0.88 . . . . 0.0 109.78 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.52 13.5 7.57 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.474 -0.766 . . . . 0.0 110.453 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.649 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 24.9 t-105 -62.7 149.85 88.16 Favored Pre-proline 0 C--N 1.293 -1.863 0 O-C-N 121.732 -0.605 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.649 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.7 Cg_endo -90.51 -168.32 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.784 1.413 . . . . 0.0 113.363 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 9.8 m95 28.12 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.58 -0.7 . . . . 0.0 111.576 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.633 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.5 t-105 -41.91 149.7 0.4 Allowed Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.438 -0.789 . . . . 0.0 110.369 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.8 Cg_endo -93.19 111.14 0.21 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.924 1.486 . . . . 0.0 110.654 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' ARG . 19.0 p90 -108.96 -168.95 1.4 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.66 53.59 0.9 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.328 -0.857 . . . . 0.0 110.245 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -55.16 -23.23 20.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.22 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 1' ' ' ILE . 13.8 mm . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.337 0.589 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' O ' ' CZ2' ' A' ' 4' ' ' TRP . 54.5 mt 56.94 85.86 0.18 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.178 -0.951 . . . . 0.0 110.246 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' C ' ' CG ' ' A' ' 4' ' ' TRP . 46.7 Cg_endo -73.13 -174.78 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 124.09 1.574 . . . . 0.0 110.497 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -157.76 49.48 0.41 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.272 -0.893 . . . . 0.0 109.643 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -135.19 16.68 3.46 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.389 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 22.7 t-105 -58.69 147.9 69.32 Favored Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.596 -0.69 . . . . 0.0 110.313 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.679 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.0 Cg_endo -91.47 -167.86 0.23 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.838 1.441 . . . . 0.0 113.048 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.543 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 16.7 m95 28.17 87.79 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.629 -0.67 . . . . 0.0 111.671 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.637 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.1 t-105 -38.94 150.08 0.22 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.807 -0.558 . . . . 0.0 110.492 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.637 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.0 Cg_endo -93.16 109.73 0.2 Allowed 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 123.95 1.5 . . . . 0.0 110.782 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 17.6 p90 -108.37 -168.35 1.35 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.174 -0.954 . . . . 0.0 109.573 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -75.78 53.14 0.72 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 14' ' ' NH2 . 2.0 tmt_? -59.34 160.62 6.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.905 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.508 ' N ' ' HD3' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.902 -1.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 7.8 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.251 0.548 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 19.3 mt 60.93 73.36 0.61 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.894 . . . . 0.0 110.201 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.81 -174.8 1.62 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 123.974 1.513 . . . . 0.0 110.446 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.512 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -146.52 47.59 1.19 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.267 -0.896 . . . . 0.0 109.672 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 11.29 5.43 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.64 0.733 . . . . 0.0 110.454 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 27.2 t-105 -67.42 150.02 98.08 Favored Pre-proline 0 C--N 1.292 -1.908 0 O-C-N 121.726 -0.609 . . . . 0.0 110.406 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.646 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.0 Cg_endo -90.31 -168.3 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.82 1.432 . . . . 0.0 113.422 -178.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 10.1 m95 28.0 84.64 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 111.593 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.633 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 t-105 -41.74 149.72 0.39 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.538 -0.726 . . . . 0.0 110.355 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.7 Cg_endo -92.99 108.76 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.957 1.504 . . . . 0.0 110.801 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.479 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p90 -107.51 -167.76 1.3 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.221 -0.925 . . . . 0.0 109.591 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.18 54.0 0.53 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -60.91 86.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.169 -0.957 . . . . 0.0 110.202 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' LEU . 10.0 pt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.239 0.542 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 3' ' ' PRO . 2.5 pp -41.71 140.51 1.38 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.69 ' O ' HD12 ' A' ' 2' ' ' LEU . 46.0 Cg_endo -73.1 -169.42 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.027 1.541 . . . . 0.0 110.444 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.572 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 66.3 t-105 -164.06 43.83 0.1 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 110.075 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.24 14.67 7.23 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.618 0.723 . . . . 0.0 110.491 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.649 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.1 t-105 -59.25 149.56 67.64 Favored Pre-proline 0 C--N 1.292 -1.926 0 O-C-N 121.787 -0.57 . . . . 0.0 110.16 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.649 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.1 Cg_endo -90.78 -168.35 0.27 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.713 1.375 . . . . 0.0 113.422 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 15.3 m95 27.96 85.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.502 0.667 . . . . 0.0 111.712 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.637 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.4 t-105 -46.09 149.75 1.19 Allowed Pre-proline 0 N--CA 1.487 1.422 0 O-C-N 121.478 -0.764 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.637 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.9 Cg_endo -93.33 110.03 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.955 1.502 . . . . 0.0 110.632 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' ARG . 17.2 p90 -106.8 -169.82 1.62 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER 36.25 73.52 0.09 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.742 -0.599 . . . . 0.0 110.933 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 166.24 25.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 110.246 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' LEU . 9.0 pt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 2' ' ' LEU . 1.8 pp -41.48 104.01 0.33 Allowed Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.35 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 46.9 Cg_endo -72.26 -178.2 3.14 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.954 1.502 . . . . 0.0 110.398 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.549 ' CE3' ' HA ' ' A' ' 3' ' ' PRO . 5.6 p90 -149.49 61.32 1.02 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.247 -0.908 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.17 13.09 6.15 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.726 0.774 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 27.4 t-105 -66.79 149.46 98.31 Favored Pre-proline 0 C--N 1.295 -1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.352 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.646 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.5 Cg_endo -90.5 -168.46 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.467 0 O-C-N 123.847 1.446 . . . . 0.0 113.429 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 11.7 m95 27.91 84.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.624 -0.673 . . . . 0.0 111.725 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.633 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.8 t-105 -43.79 150.74 0.54 Allowed Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 121.561 -0.712 . . . . 0.0 110.095 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.8 Cg_endo -92.54 107.44 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 O-C-N 123.91 1.479 . . . . 0.0 110.763 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -105.37 -169.14 1.55 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 0.0 109.621 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.7 78.79 1.65 Allowed 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.237 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 0.0 110.212 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.601 HG22 ' H ' ' A' ' 2' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.601 ' H ' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -42.14 136.64 2.23 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.258 -0.901 . . . . 0.0 110.166 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.88 175.79 8.53 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 O-C-N 124.085 1.571 . . . . 0.0 110.634 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.569 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 62.0 t-105 -164.2 40.97 0.09 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.775 0.798 . . . . 0.0 109.925 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.22 18.72 4.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.685 0.755 . . . . 0.0 110.336 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.687 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 13.6 t-105 -42.85 144.8 0.98 Allowed Pre-proline 0 C--N 1.29 -1.995 0 O-C-N 121.774 -0.579 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.687 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 42.8 Cg_endo -91.36 -164.13 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 121.465 1.443 . . . . 0.0 112.773 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.7 m95 29.87 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 111.066 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.627 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.8 t-105 -37.09 149.42 0.17 Allowed Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.846 -0.534 . . . . 0.0 110.563 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.627 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.4 Cg_endo -92.24 118.3 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 O-C-N 124.062 1.559 . . . . 0.0 110.597 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.498 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 21.3 p90 -112.09 -168.6 1.33 Allowed 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.3 ttt-85 -74.82 53.25 0.57 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.489 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.8 tpt180 -59.76 86.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.956 . . . . 0.0 110.114 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' LEU . 5.6 pt . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.273 0.558 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' ILE . 1.1 pp -41.31 135.08 1.9 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.807 . . . . 0.0 110.38 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.468 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 46.8 Cg_endo -73.61 -174.92 1.83 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 O-C-N 123.994 1.523 . . . . 0.0 110.336 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.578 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 62.6 t-105 -177.88 44.78 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.179 -0.951 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.76 15.86 3.1 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.676 0.75 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.641 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 28.7 t-105 -65.23 149.32 97.12 Favored Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.501 -0.749 . . . . 0.0 110.557 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 49.7 Cg_endo -90.99 -167.02 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 121.483 1.455 . . . . 0.0 113.34 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' PRO . 23.2 m95 28.17 83.68 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.504 -0.747 . . . . 0.0 111.902 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.619 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.2 t-105 -43.62 150.49 0.54 Allowed Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.469 -0.769 . . . . 0.0 109.839 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.619 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.7 Cg_endo -92.31 107.71 0.23 Allowed 'Trans proline' 0 C--N 1.307 -1.642 0 O-C-N 123.931 1.49 . . . . 0.0 110.67 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -102.54 -173.37 2.31 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.43 74.22 1.17 Allowed 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.503 -0.748 . . . . 0.0 110.194 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -125.2 22.77 7.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.144 -0.973 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' LEU . 2.4 pt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.218 0.532 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 3' ' ' PRO . 3.8 pp -40.62 136.88 1.43 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.405 -0.809 . . . . 0.0 110.497 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 2' ' ' LEU . 46.3 Cg_endo -73.0 -168.84 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.95 1.5 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' CZ3' ' O ' ' A' ' 2' ' ' LEU . 1.9 p90 -152.33 63.05 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.215 -0.928 . . . . 0.0 110.359 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.02 13.36 7.28 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.747 0.784 . . . . 0.0 110.223 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.651 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 26.2 t-105 -64.53 150.1 94.19 Favored Pre-proline 0 C--N 1.295 -1.794 0 O-C-N 121.766 -0.584 . . . . 0.0 110.44 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.651 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.7 Cg_endo -90.57 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.831 1.438 . . . . 0.0 113.361 -178.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 13.1 m95 28.07 85.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.579 -0.701 . . . . 0.0 111.614 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.622 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 3.9 t-105 -40.87 149.87 0.32 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.581 -0.7 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.622 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.3 Cg_endo -93.18 107.3 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.533 0 O-C-N 123.955 1.503 . . . . 0.0 110.801 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ARG . 15.6 p90 -103.68 -170.08 1.73 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.222 -0.924 . . . . 0.0 109.488 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 36.28 59.6 0.93 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.572 -0.705 . . . . 0.0 110.757 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 52.32 171.61 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.218 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.459 ' N ' ' HG3' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.523 ' O ' ' C ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 120.778 0.323 . . . . 0.0 110.19 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.751 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER 26.61 73.09 0.37 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 122.149 -0.345 . . . . 0.0 111.479 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.09 -172.59 1.03 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 124.023 1.539 . . . . 0.0 110.479 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.82 52.57 2.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 109.796 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.77 15.84 7.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 110.334 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.645 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.3 t-105 -59.65 150.07 68.47 Favored Pre-proline 0 C--N 1.293 -1.885 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.3 Cg_endo -90.47 -168.48 0.29 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.838 1.441 . . . . 0.0 113.425 -177.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 14.0 m95 28.16 84.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.616 -0.678 . . . . 0.0 111.587 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.636 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.4 t-105 -47.07 149.65 1.59 Allowed Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.467 -0.771 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.636 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.4 Cg_endo -93.37 108.63 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 O-C-N 123.927 1.488 . . . . 0.0 110.668 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' O ' ' C ' ' A' ' 12' ' ' ARG . 16.0 p90 -105.08 -171.29 1.89 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.234 -0.916 . . . . 0.0 109.744 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 11' ' ' TRP . 3.7 ttt180 35.09 65.75 0.35 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.79 -0.569 . . . . 0.0 111.031 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.61 30.65 1.96 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' LEU . 8.8 pt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.15 0.5 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 2' ' ' LEU . 1.9 pp -40.93 104.94 0.36 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.06 -179.18 4.08 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 123.91 1.479 . . . . 0.0 110.448 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.49 ' CZ3' ' O ' ' A' ' 2' ' ' LEU . 1.5 p90 -143.62 52.6 1.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.364 -0.835 . . . . 0.0 110.264 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -129.45 15.2 6.06 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 110.426 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 19.3 t-105 -53.44 150.3 12.66 Favored Pre-proline 0 C--N 1.292 -1.895 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.66 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.2 Cg_endo -89.56 -166.99 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.754 1.397 . . . . 0.0 113.333 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.523 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 7.3 m95 28.04 83.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.526 -0.734 . . . . 0.0 111.205 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.567 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 13.1 t-105 -45.85 144.85 2.58 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.524 -0.735 . . . . 0.0 111.033 -179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 51.1 Cg_endo -95.03 116.98 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.659 1.573 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' O ' ' C ' ' A' ' 12' ' ' ARG . 19.9 p90 -109.18 -172.37 2.03 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.989 -1.069 . . . . 0.0 109.873 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER 34.92 47.18 0.24 Allowed 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.245 0.545 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 12' ' ' ARG . 11.3 mtp180 -51.56 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' LEU . 6.8 pt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.202 0.525 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 2' ' ' LEU . 2.8 pp -41.75 116.39 1.61 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.552 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 46.2 Cg_endo -72.8 -175.34 1.84 Allowed 'Trans proline' 0 C--N 1.306 -1.678 0 O-C-N 123.983 1.517 . . . . 0.0 110.41 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 3' ' ' PRO . 4.9 p90 -150.27 62.21 0.96 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.15 -0.969 . . . . 0.0 110.361 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.38 15.88 7.14 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.725 0.774 . . . . 0.0 110.377 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.654 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 22.5 t-105 -58.2 149.89 55.39 Favored Pre-proline 0 C--N 1.293 -1.873 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.654 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.3 Cg_endo -90.56 -168.03 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.762 1.401 . . . . 0.0 113.422 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 13.1 m95 28.26 85.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.607 -0.683 . . . . 0.0 111.643 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.639 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.5 t-105 -40.02 150.37 0.26 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.647 -0.658 . . . . 0.0 110.437 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.639 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.6 Cg_endo -93.11 117.74 0.34 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 124.0 1.526 . . . . 0.0 110.631 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -111.18 -167.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.223 -0.923 . . . . 0.0 109.774 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 18.7 ptt-85 -70.25 53.77 0.14 Allowed 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.187 -0.946 . . . . 0.0 110.716 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -31.55 29.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.267 0.556 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 48.5 mt 56.17 110.0 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 110.17 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 2' ' ' LEU . 44.0 Cg_endo -70.87 173.04 12.55 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 O-C-N 123.986 1.519 . . . . 0.0 110.496 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.636 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 1.8 m95 -129.37 47.26 2.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.404 -0.81 . . . . 0.0 109.479 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -103.14 -5.41 23.26 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.793 0.806 . . . . 0.0 111.306 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 25.4 t-105 -65.28 148.93 97.64 Favored Pre-proline 0 C--N 1.286 -2.195 0 O-C-N 121.831 -0.543 . . . . 0.0 110.357 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.661 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 53.2 Cg_endo -91.6 -169.42 0.28 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.799 1.42 . . . . 0.0 113.23 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 28.5 m95 27.76 86.77 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.568 0.699 . . . . 0.0 111.63 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.62 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 7.9 t-105 -44.17 147.98 0.88 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.559 -0.713 . . . . 0.0 110.649 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 48.8 Cg_endo -94.49 108.35 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.535 0 O-C-N 124.075 1.566 . . . . 0.0 110.823 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.451 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 15.8 p90 -105.08 -168.35 1.46 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.077 -1.014 . . . . 0.0 109.622 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -75.91 52.59 0.71 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 110.513 -179.637 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 2.5 ttp180 46.43 -135.65 0.83 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.266 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.987 -1.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.637 HG22 ' H ' ' A' ' 2' ' ' LEU . 3.8 mm . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.102 0.477 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.637 ' H ' HG22 ' A' ' 1' ' ' ILE . 2.1 pp -39.95 136.23 1.27 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.293 -0.879 . . . . 0.0 110.662 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.467 ' O ' HD12 ' A' ' 2' ' ' LEU . 48.3 Cg_endo -74.29 -168.51 0.49 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 O-C-N 124.155 1.608 . . . . 0.0 110.309 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.47 58.84 1.21 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.17 -0.956 . . . . 0.0 110.155 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.63 12.26 6.33 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.471 -0.768 . . . . 0.0 110.368 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.677 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 30.2 t-105 -74.03 146.54 85.01 Favored Pre-proline 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 110.802 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.677 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 51.3 Cg_endo -92.62 -166.41 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.342 0 O-C-N 123.932 1.49 . . . . 0.0 112.758 -178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.489 ' C ' ' O ' ' A' ' 7' ' ' PRO . 39.8 m95 28.9 87.34 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.354 -0.841 . . . . 0.0 112.145 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.63 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 5.7 t-105 -39.92 149.99 0.27 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.754 -0.591 . . . . 0.0 110.517 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.7 Cg_endo -94.29 113.28 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.599 1.532 . . . . 0.0 111.127 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -115.35 -165.24 1.01 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.204 -0.935 . . . . 0.0 109.642 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -72.02 54.57 0.28 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.939 . . . . 0.0 110.29 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -52.48 12.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.242 -0.911 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.794 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.464 HG22 ' HG ' ' A' ' 2' ' ' LEU . 14.8 mm . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.342 0.591 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.571 ' O ' ' CZ2' ' A' ' 4' ' ' TRP . 38.6 mt 54.49 70.82 1.51 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 110.176 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.18 173.05 13.6 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.071 1.564 . . . . 0.0 110.605 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.571 ' CZ2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -146.18 43.08 1.22 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.866 0.841 . . . . 0.0 109.265 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -127.08 15.19 7.33 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.873 0.844 . . . . 0.0 110.018 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.643 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.9 t-105 -59.99 150.86 67.94 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 121.803 -0.561 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 44.7 Cg_endo -89.49 -163.88 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.568 1.512 . . . . 0.0 113.16 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 7' ' ' PRO . 8.2 m95 29.33 81.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 111.494 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.62 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -40.08 151.78 0.23 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.486 -0.759 . . . . 0.0 110.629 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 48.1 Cg_endo -94.49 123.79 0.4 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 121.772 1.648 . . . . 0.0 110.599 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 15.3 p90 -106.52 -164.83 1.03 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.138 -0.976 . . . . 0.0 109.302 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -128.21 77.73 1.79 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.51 160.96 25.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.872 ' O ' HD23 ' A' ' 2' ' ' LEU . 2.9 mp . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.669 0.747 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 1' ' ' ILE . 25.6 mt -135.11 110.8 10.85 Favored Pre-proline 0 C--N 1.298 -1.634 0 O-C-N 121.54 -0.725 . . . . 0.0 110.17 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.17 178.59 5.84 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.973 1.512 . . . . 0.0 110.602 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.525 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -147.19 45.46 1.15 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 109.496 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.6 14.7 9.48 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.792 0.806 . . . . 0.0 110.371 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 15.9 t-105 -47.97 151.02 1.79 Allowed Pre-proline 0 C--N 1.291 -1.956 0 O-C-N 121.831 -0.543 . . . . 0.0 110.329 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.662 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 43.5 Cg_endo -86.83 -162.71 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.49 1.46 . . . . 0.0 113.365 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' C ' ' O ' ' A' ' 7' ' ' PRO . 3.3 m95 28.99 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.222 -0.924 . . . . 0.0 111.328 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.63 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.1 t-105 -45.51 150.43 0.89 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.49 -0.756 . . . . 0.0 110.96 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 47.2 Cg_endo -94.54 114.16 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 121.83 1.686 . . . . 0.0 110.344 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' O ' ' C ' ' A' ' 12' ' ' ARG . 17.4 p90 -107.13 -167.4 1.27 Allowed 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.092 -1.005 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' TRP . 2.6 ttt180 40.99 72.95 0.14 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 110.551 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -174.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 110.272 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' LEU . 2.4 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 3' ' ' PRO . 1.6 pp -41.33 144.12 0.75 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.419 -0.801 . . . . 0.0 110.494 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.613 ' O ' HD12 ' A' ' 2' ' ' LEU . 47.8 Cg_endo -73.36 -169.13 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.996 1.524 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -128.08 50.31 2.07 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.26 -0.9 . . . . 0.0 109.654 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 16.21 6.38 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.698 0.761 . . . . 0.0 110.424 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.1 t-105 -59.84 149.01 74.58 Favored Pre-proline 0 C--N 1.294 -1.824 0 O-C-N 121.686 -0.634 . . . . 0.0 110.162 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.662 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.2 Cg_endo -90.88 -168.19 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.759 1.4 . . . . 0.0 113.436 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 9.4 m95 27.94 85.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.636 -0.665 . . . . 0.0 111.55 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.629 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 5.7 t-105 -47.32 148.61 2.17 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.55 -0.719 . . . . 0.0 110.374 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.629 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 47.3 Cg_endo -93.35 111.54 0.21 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 123.943 1.496 . . . . 0.0 110.567 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 p90 -108.43 -169.11 1.45 Allowed 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.105 -0.997 . . . . 0.0 109.723 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.83 53.35 0.24 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.308 -0.87 . . . . 0.0 110.702 -179.611 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.47 74.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.161 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' LEU . 9.8 pt . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.285 0.564 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER -41.31 146.43 0.53 Allowed Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.457 ' O ' HD12 ' A' ' 2' ' ' LEU . 45.5 Cg_endo -73.24 -169.66 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 O-C-N 124.069 1.563 . . . . 0.0 110.462 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.83 49.25 2.33 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.291 -0.88 . . . . 0.0 109.78 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.52 13.5 7.57 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.474 -0.766 . . . . 0.0 110.453 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.649 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 24.9 t-105 -62.7 149.85 88.16 Favored Pre-proline 0 C--N 1.293 -1.863 0 O-C-N 121.732 -0.605 . . . . 0.0 110.351 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.649 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.7 Cg_endo -90.51 -168.32 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.784 1.413 . . . . 0.0 113.363 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 9.8 m95 28.12 84.72 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.58 -0.7 . . . . 0.0 111.576 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.633 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.5 t-105 -41.91 149.7 0.4 Allowed Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.438 -0.789 . . . . 0.0 110.369 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.8 Cg_endo -93.19 111.14 0.21 Allowed 'Trans proline' 0 C--N 1.31 -1.469 0 O-C-N 123.924 1.486 . . . . 0.0 110.654 -179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' ' N ' ' A' ' 13' ' ' ARG . 19.0 p90 -108.96 -168.95 1.4 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.239 -0.913 . . . . 0.0 109.646 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.66 53.59 0.9 Allowed 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.328 -0.857 . . . . 0.0 110.245 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' N ' ' CD1' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -55.16 -23.23 20.4 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.226 -0.921 . . . . 0.0 110.22 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.796 -1.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 1' ' ' ILE . 13.8 mm . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.337 0.589 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.564 ' O ' ' CZ2' ' A' ' 4' ' ' TRP . 54.5 mt 56.94 85.86 0.18 Allowed Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.178 -0.951 . . . . 0.0 110.246 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' C ' ' CG ' ' A' ' 4' ' ' TRP . 46.7 Cg_endo -73.13 -174.78 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 O-C-N 124.09 1.574 . . . . 0.0 110.497 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -157.76 49.48 0.41 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.272 -0.893 . . . . 0.0 109.643 179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -135.19 16.68 3.46 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.389 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.679 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 22.7 t-105 -58.69 147.9 69.32 Favored Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.596 -0.69 . . . . 0.0 110.313 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.679 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.0 Cg_endo -91.47 -167.86 0.23 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 O-C-N 123.838 1.441 . . . . 0.0 113.048 -178.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.543 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 16.7 m95 28.17 87.79 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.629 -0.67 . . . . 0.0 111.671 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.637 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.1 t-105 -38.94 150.08 0.22 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.807 -0.558 . . . . 0.0 110.492 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.637 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.0 Cg_endo -93.16 109.73 0.2 Allowed 'Trans proline' 0 C--N 1.307 -1.616 0 O-C-N 123.95 1.5 . . . . 0.0 110.782 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 17.6 p90 -108.37 -168.35 1.35 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.174 -0.954 . . . . 0.0 109.573 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttp-105 -75.78 53.14 0.72 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 14' ' ' NH2 . 2.0 tmt_? -59.34 160.62 6.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.905 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.508 ' N ' ' HD3' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.902 -1.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 7.8 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.251 0.548 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 19.3 mt 60.93 73.36 0.61 Allowed Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.269 -0.894 . . . . 0.0 110.201 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.81 -174.8 1.62 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 123.974 1.513 . . . . 0.0 110.446 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.512 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -146.52 47.59 1.19 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.267 -0.896 . . . . 0.0 109.672 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 11.29 5.43 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.64 0.733 . . . . 0.0 110.454 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 27.2 t-105 -67.42 150.02 98.08 Favored Pre-proline 0 C--N 1.292 -1.908 0 O-C-N 121.726 -0.609 . . . . 0.0 110.406 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.646 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.0 Cg_endo -90.31 -168.3 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.477 0 O-C-N 123.82 1.432 . . . . 0.0 113.422 -178.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 10.1 m95 28.0 84.64 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 111.593 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.633 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.9 t-105 -41.74 149.72 0.39 Allowed Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.538 -0.726 . . . . 0.0 110.355 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.7 Cg_endo -92.99 108.76 0.2 Allowed 'Trans proline' 0 C--N 1.309 -1.509 0 O-C-N 123.957 1.504 . . . . 0.0 110.801 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.479 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 17.0 p90 -107.51 -167.76 1.3 Allowed 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.221 -0.925 . . . . 0.0 109.591 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.18 54.0 0.53 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.194 -0.941 . . . . 0.0 110.214 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -60.91 86.77 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.169 -0.957 . . . . 0.0 110.202 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' LEU . 10.0 pt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.239 0.542 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 3' ' ' PRO . 2.5 pp -41.71 140.51 1.38 Allowed Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.377 -0.827 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.69 ' O ' HD12 ' A' ' 2' ' ' LEU . 46.0 Cg_endo -73.1 -169.42 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 124.027 1.541 . . . . 0.0 110.444 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.572 ' CD1' ' O ' ' A' ' 4' ' ' TRP . 66.3 t-105 -164.06 43.83 0.1 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.333 -0.855 . . . . 0.0 110.075 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.24 14.67 7.23 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.618 0.723 . . . . 0.0 110.491 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.649 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.1 t-105 -59.25 149.56 67.64 Favored Pre-proline 0 C--N 1.292 -1.926 0 O-C-N 121.787 -0.57 . . . . 0.0 110.16 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.649 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.1 Cg_endo -90.78 -168.35 0.27 Allowed 'Trans proline' 0 C--N 1.311 -1.42 0 O-C-N 123.713 1.375 . . . . 0.0 113.422 -178.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 15.3 m95 27.96 85.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.502 0.667 . . . . 0.0 111.712 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.637 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.4 t-105 -46.09 149.75 1.19 Allowed Pre-proline 0 N--CA 1.487 1.422 0 O-C-N 121.478 -0.764 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.637 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.9 Cg_endo -93.33 110.03 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.558 0 O-C-N 123.955 1.502 . . . . 0.0 110.632 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' ARG . 17.2 p90 -106.8 -169.82 1.62 Allowed 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER 36.25 73.52 0.09 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.742 -0.599 . . . . 0.0 110.933 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.24 166.24 25.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 110.246 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' LEU . 9.0 pt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.681 ' O ' HD12 ' A' ' 2' ' ' LEU . 1.8 pp -41.48 104.01 0.33 Allowed Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.367 -0.833 . . . . 0.0 110.35 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.549 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 46.9 Cg_endo -72.26 -178.2 3.14 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 O-C-N 123.954 1.502 . . . . 0.0 110.398 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.549 ' CE3' ' HA ' ' A' ' 3' ' ' PRO . 5.6 p90 -149.49 61.32 1.02 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.247 -0.908 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.17 13.09 6.15 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.726 0.774 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.646 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 27.4 t-105 -66.79 149.46 98.31 Favored Pre-proline 0 C--N 1.295 -1.792 0 O-C-N 121.663 -0.648 . . . . 0.0 110.352 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.646 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.5 Cg_endo -90.5 -168.46 0.28 Allowed 'Trans proline' 0 C--N 1.31 -1.467 0 O-C-N 123.847 1.446 . . . . 0.0 113.429 -178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 11.7 m95 27.91 84.59 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.624 -0.673 . . . . 0.0 111.725 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.633 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.8 t-105 -43.79 150.74 0.54 Allowed Pre-proline 0 N--CA 1.488 1.455 0 O-C-N 121.561 -0.712 . . . . 0.0 110.095 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.633 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.8 Cg_endo -92.54 107.44 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 O-C-N 123.91 1.479 . . . . 0.0 110.763 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.9 p90 -105.37 -169.14 1.55 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.217 -0.927 . . . . 0.0 109.621 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.7 78.79 1.65 Allowed 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.237 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 175.96 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.207 -0.933 . . . . 0.0 110.212 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.601 HG22 ' H ' ' A' ' 2' ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.601 ' H ' HG22 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -42.14 136.64 2.23 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.258 -0.901 . . . . 0.0 110.166 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.88 175.79 8.53 Favored 'Trans proline' 0 C--N 1.303 -1.84 0 O-C-N 124.085 1.571 . . . . 0.0 110.634 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 4' ' ' TRP . 62.0 t-105 -164.2 40.97 0.09 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-O 121.775 0.798 . . . . 0.0 109.925 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.22 18.72 4.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.685 0.755 . . . . 0.0 110.336 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.687 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 13.6 t-105 -42.85 144.8 0.98 Allowed Pre-proline 0 C--N 1.29 -1.995 0 O-C-N 121.774 -0.579 . . . . 0.0 110.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.687 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 42.8 Cg_endo -91.36 -164.13 0.13 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 121.465 1.443 . . . . 0.0 112.773 -178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' PRO . 2.7 m95 29.87 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 111.066 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.627 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.8 t-105 -37.09 149.42 0.17 Allowed Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.846 -0.534 . . . . 0.0 110.563 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.627 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.4 Cg_endo -92.24 118.3 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 O-C-N 124.062 1.559 . . . . 0.0 110.597 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.498 ' NE1' ' HB2' ' A' ' 13' ' ' ARG . 21.3 p90 -112.09 -168.6 1.33 Allowed 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 41.3 ttt-85 -74.82 53.25 0.57 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.333 -0.854 . . . . 0.0 110.489 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' HB2' ' NE1' ' A' ' 11' ' ' TRP . 20.8 tpt180 -59.76 86.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.17 -0.956 . . . . 0.0 110.114 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' LEU . 5.6 pt . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.273 0.558 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' ILE . 1.1 pp -41.31 135.08 1.9 Allowed Pre-proline 0 N--CA 1.493 1.686 0 O-C-N 121.41 -0.807 . . . . 0.0 110.38 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.468 ' O ' ' HB2' ' A' ' 4' ' ' TRP . 46.8 Cg_endo -73.61 -174.92 1.83 Allowed 'Trans proline' 0 C--N 1.307 -1.624 0 O-C-N 123.994 1.523 . . . . 0.0 110.336 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 4' ' ' TRP . 62.6 t-105 -177.88 44.78 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.179 -0.951 . . . . 0.0 110.408 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.76 15.86 3.1 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.676 0.75 . . . . 0.0 110.674 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.641 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 28.7 t-105 -65.23 149.32 97.12 Favored Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.501 -0.749 . . . . 0.0 110.557 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.641 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 49.7 Cg_endo -90.99 -167.02 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 121.483 1.455 . . . . 0.0 113.34 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' PRO . 23.2 m95 28.17 83.68 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.504 -0.747 . . . . 0.0 111.902 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.619 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.2 t-105 -43.62 150.49 0.54 Allowed Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.469 -0.769 . . . . 0.0 109.839 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.619 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.7 Cg_endo -92.31 107.71 0.23 Allowed 'Trans proline' 0 C--N 1.307 -1.642 0 O-C-N 123.931 1.49 . . . . 0.0 110.67 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 12.3 p90 -102.54 -173.37 2.31 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.188 -0.945 . . . . 0.0 109.821 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.43 74.22 1.17 Allowed 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.503 -0.748 . . . . 0.0 110.194 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -125.2 22.77 7.8 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.144 -0.973 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' LEU . 2.4 pt . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.218 0.532 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.706 HD12 ' O ' ' A' ' 3' ' ' PRO . 3.8 pp -40.62 136.88 1.43 Allowed Pre-proline 0 N--CA 1.493 1.68 0 O-C-N 121.405 -0.809 . . . . 0.0 110.497 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.706 ' O ' HD12 ' A' ' 2' ' ' LEU . 46.3 Cg_endo -73.0 -168.84 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.95 1.5 . . . . 0.0 110.354 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' CZ3' ' O ' ' A' ' 2' ' ' LEU . 1.9 p90 -152.33 63.05 0.82 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.215 -0.928 . . . . 0.0 110.359 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.02 13.36 7.28 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.747 0.784 . . . . 0.0 110.223 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.651 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 26.2 t-105 -64.53 150.1 94.19 Favored Pre-proline 0 C--N 1.295 -1.794 0 O-C-N 121.766 -0.584 . . . . 0.0 110.44 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.651 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.7 Cg_endo -90.57 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.311 -1.399 0 O-C-N 123.831 1.438 . . . . 0.0 113.361 -178.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 13.1 m95 28.07 85.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.579 -0.701 . . . . 0.0 111.614 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.622 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 3.9 t-105 -40.87 149.87 0.32 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.581 -0.7 . . . . 0.0 110.293 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.622 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.3 Cg_endo -93.18 107.3 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.533 0 O-C-N 123.955 1.503 . . . . 0.0 110.801 -179.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ARG . 15.6 p90 -103.68 -170.08 1.73 Allowed 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.222 -0.924 . . . . 0.0 109.488 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 36.28 59.6 0.93 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.572 -0.705 . . . . 0.0 110.757 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 52.32 171.61 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.41 -0.806 . . . . 0.0 110.218 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.459 ' N ' ' HG3' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.523 ' O ' ' C ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 120.778 0.323 . . . . 0.0 110.19 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.751 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER 26.61 73.09 0.37 Allowed Pre-proline 0 N--CA 1.501 2.121 0 O-C-N 122.149 -0.345 . . . . 0.0 111.479 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.09 -172.59 1.03 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 124.023 1.539 . . . . 0.0 110.479 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.82 52.57 2.06 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.264 -0.897 . . . . 0.0 109.796 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.77 15.84 7.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.433 -0.792 . . . . 0.0 110.334 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.645 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.3 t-105 -59.65 150.07 68.47 Favored Pre-proline 0 C--N 1.293 -1.885 0 O-C-N 121.697 -0.627 . . . . 0.0 110.126 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.645 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.3 Cg_endo -90.47 -168.48 0.29 Allowed 'Trans proline' 0 C--N 1.31 -1.486 0 O-C-N 123.838 1.441 . . . . 0.0 113.425 -177.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 14.0 m95 28.16 84.48 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.616 -0.678 . . . . 0.0 111.587 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.636 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.4 t-105 -47.07 149.65 1.59 Allowed Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.467 -0.771 . . . . 0.0 110.389 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.636 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.4 Cg_endo -93.37 108.63 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 O-C-N 123.927 1.488 . . . . 0.0 110.668 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' O ' ' C ' ' A' ' 12' ' ' ARG . 16.0 p90 -105.08 -171.29 1.89 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.234 -0.916 . . . . 0.0 109.744 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 11' ' ' TRP . 3.7 ttt180 35.09 65.75 0.35 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.79 -0.569 . . . . 0.0 111.031 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -94.61 30.65 1.96 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.293 -0.879 . . . . 0.0 110.194 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 2' ' ' LEU . 8.8 pt . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.15 0.5 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 2' ' ' LEU . 1.9 pp -40.93 104.94 0.36 Allowed Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.06 -179.18 4.08 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 123.91 1.479 . . . . 0.0 110.448 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.49 ' CZ3' ' O ' ' A' ' 2' ' ' LEU . 1.5 p90 -143.62 52.6 1.33 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.364 -0.835 . . . . 0.0 110.264 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -129.45 15.2 6.06 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.477 -0.765 . . . . 0.0 110.426 -179.683 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 19.3 t-105 -53.44 150.3 12.66 Favored Pre-proline 0 C--N 1.292 -1.895 0 O-C-N 121.698 -0.626 . . . . 0.0 109.963 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.66 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.2 Cg_endo -89.56 -166.99 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.434 0 O-C-N 123.754 1.397 . . . . 0.0 113.333 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.523 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 7.3 m95 28.04 83.9 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.526 -0.734 . . . . 0.0 111.205 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.567 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 13.1 t-105 -45.85 144.85 2.58 Favored Pre-proline 0 N--CA 1.487 1.41 0 O-C-N 121.524 -0.735 . . . . 0.0 111.033 -179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 51.1 Cg_endo -95.03 116.98 0.21 Allowed 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.659 1.573 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' O ' ' C ' ' A' ' 12' ' ' ARG . 19.9 p90 -109.18 -172.37 2.03 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.989 -1.069 . . . . 0.0 109.873 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER 34.92 47.18 0.24 Allowed 'General case' 0 C--N 1.3 -1.554 0 CA-C-O 121.245 0.545 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' O ' ' A' ' 12' ' ' ARG . 11.3 mtp180 -51.56 -175.25 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 110.186 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' LEU . 6.8 pt . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.202 0.525 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 2' ' ' LEU . 2.8 pp -41.75 116.39 1.61 Allowed Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.552 ' HA ' ' CE3' ' A' ' 4' ' ' TRP . 46.2 Cg_endo -72.8 -175.34 1.84 Allowed 'Trans proline' 0 C--N 1.306 -1.678 0 O-C-N 123.983 1.517 . . . . 0.0 110.41 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' A' ' 3' ' ' PRO . 4.9 p90 -150.27 62.21 0.96 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.15 -0.969 . . . . 0.0 110.361 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.38 15.88 7.14 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.725 0.774 . . . . 0.0 110.377 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.654 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 22.5 t-105 -58.2 149.89 55.39 Favored Pre-proline 0 C--N 1.293 -1.873 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.654 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 47.3 Cg_endo -90.56 -168.03 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.408 0 O-C-N 123.762 1.401 . . . . 0.0 113.422 -178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 13.1 m95 28.26 85.32 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.607 -0.683 . . . . 0.0 111.643 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.639 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 2.5 t-105 -40.02 150.37 0.26 Allowed Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.647 -0.658 . . . . 0.0 110.437 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.639 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 46.6 Cg_endo -93.11 117.74 0.34 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 124.0 1.526 . . . . 0.0 110.631 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.1 p90 -111.18 -167.55 1.19 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.223 -0.923 . . . . 0.0 109.774 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 18.7 ptt-85 -70.25 53.77 0.14 Allowed 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.187 -0.946 . . . . 0.0 110.716 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -31.55 29.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 110.118 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.267 0.556 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 48.5 mt 56.17 110.0 0.02 OUTLIER Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.299 -0.876 . . . . 0.0 110.17 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 2' ' ' LEU . 44.0 Cg_endo -70.87 173.04 12.55 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 O-C-N 123.986 1.519 . . . . 0.0 110.496 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.636 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 1.8 m95 -129.37 47.26 2.51 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.404 -0.81 . . . . 0.0 109.479 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -103.14 -5.41 23.26 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.793 0.806 . . . . 0.0 111.306 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.661 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 25.4 t-105 -65.28 148.93 97.64 Favored Pre-proline 0 C--N 1.286 -2.195 0 O-C-N 121.831 -0.543 . . . . 0.0 110.357 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.661 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 53.2 Cg_endo -91.6 -169.42 0.28 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 O-C-N 123.799 1.42 . . . . 0.0 113.23 -178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 28.5 m95 27.76 86.77 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.568 0.699 . . . . 0.0 111.63 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.62 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 7.9 t-105 -44.17 147.98 0.88 Allowed Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.559 -0.713 . . . . 0.0 110.649 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 48.8 Cg_endo -94.49 108.35 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.535 0 O-C-N 124.075 1.566 . . . . 0.0 110.823 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.451 ' CD1' ' O ' ' A' ' 13' ' ' ARG . 15.8 p90 -105.08 -168.35 1.46 Allowed 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.077 -1.014 . . . . 0.0 109.622 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -75.91 52.59 0.71 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.284 -0.885 . . . . 0.0 110.513 -179.637 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 2.5 ttp180 46.43 -135.65 0.83 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.25 -0.906 . . . . 0.0 110.266 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 119.987 -1.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.637 HG22 ' H ' ' A' ' 2' ' ' LEU . 3.8 mm . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.102 0.477 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.637 ' H ' HG22 ' A' ' 1' ' ' ILE . 2.1 pp -39.95 136.23 1.27 Allowed Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.293 -0.879 . . . . 0.0 110.662 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.467 ' O ' HD12 ' A' ' 2' ' ' LEU . 48.3 Cg_endo -74.29 -168.51 0.49 Allowed 'Trans proline' 0 C--N 1.307 -1.653 0 O-C-N 124.155 1.608 . . . . 0.0 110.309 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -146.47 58.84 1.21 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.17 -0.956 . . . . 0.0 110.155 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.63 12.26 6.33 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.471 -0.768 . . . . 0.0 110.368 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.677 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 30.2 t-105 -74.03 146.54 85.01 Favored Pre-proline 0 C--N 1.295 -1.785 0 O-C-N 121.66 -0.65 . . . . 0.0 110.802 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.677 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 51.3 Cg_endo -92.62 -166.41 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.342 0 O-C-N 123.932 1.49 . . . . 0.0 112.758 -178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.489 ' C ' ' O ' ' A' ' 7' ' ' PRO . 39.8 m95 28.9 87.34 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.354 -0.841 . . . . 0.0 112.145 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.63 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 5.7 t-105 -39.92 149.99 0.27 Allowed Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.754 -0.591 . . . . 0.0 110.517 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 45.7 Cg_endo -94.29 113.28 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.599 1.532 . . . . 0.0 111.127 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -115.35 -165.24 1.01 Allowed 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.204 -0.935 . . . . 0.0 109.642 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -72.02 54.57 0.28 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.198 -0.939 . . . . 0.0 110.29 -179.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -52.48 12.22 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.242 -0.911 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.794 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.464 HG22 ' HG ' ' A' ' 2' ' ' LEU . 14.8 mm . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.342 0.591 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.571 ' O ' ' CZ2' ' A' ' 4' ' ' TRP . 38.6 mt 54.49 70.82 1.51 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.251 -0.906 . . . . 0.0 110.176 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -72.18 173.05 13.6 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.071 1.564 . . . . 0.0 110.605 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.571 ' CZ2' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -146.18 43.08 1.22 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.866 0.841 . . . . 0.0 109.265 179.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -127.08 15.19 7.33 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.873 0.844 . . . . 0.0 110.018 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.643 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.9 t-105 -59.99 150.86 67.94 Favored Pre-proline 0 C--N 1.295 -1.784 0 O-C-N 121.803 -0.561 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.643 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 44.7 Cg_endo -89.49 -163.88 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.568 1.512 . . . . 0.0 113.16 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.507 ' C ' ' O ' ' A' ' 7' ' ' PRO . 8.2 m95 29.33 81.98 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 111.494 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.62 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -40.08 151.78 0.23 Allowed Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.486 -0.759 . . . . 0.0 110.629 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 48.1 Cg_endo -94.49 123.79 0.4 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 121.772 1.648 . . . . 0.0 110.599 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' CD1' ' C ' ' A' ' 11' ' ' TRP . 15.3 p90 -106.52 -164.83 1.03 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.138 -0.976 . . . . 0.0 109.302 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -128.21 77.73 1.79 Allowed 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 110.406 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.51 160.96 25.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.33 -0.856 . . . . 0.0 110.142 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.911 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.872 ' O ' HD23 ' A' ' 2' ' ' LEU . 2.9 mp . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.669 0.747 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 1' ' ' ILE . 25.6 mt -135.11 110.8 10.85 Favored Pre-proline 0 C--N 1.298 -1.634 0 O-C-N 121.54 -0.725 . . . . 0.0 110.17 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.17 178.59 5.84 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 O-C-N 123.973 1.512 . . . . 0.0 110.602 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.525 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -147.19 45.46 1.15 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.399 -0.813 . . . . 0.0 109.496 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.6 14.7 9.48 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.792 0.806 . . . . 0.0 110.371 -179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 15.9 t-105 -47.97 151.02 1.79 Allowed Pre-proline 0 C--N 1.291 -1.956 0 O-C-N 121.831 -0.543 . . . . 0.0 110.329 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.662 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 43.5 Cg_endo -86.83 -162.71 0.15 Allowed 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.49 1.46 . . . . 0.0 113.365 -177.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' C ' ' O ' ' A' ' 7' ' ' PRO . 3.3 m95 28.99 79.0 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.222 -0.924 . . . . 0.0 111.328 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.63 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 4.1 t-105 -45.51 150.43 0.89 Allowed Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.49 -0.756 . . . . 0.0 110.96 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 47.2 Cg_endo -94.54 114.16 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 121.83 1.686 . . . . 0.0 110.344 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' O ' ' C ' ' A' ' 12' ' ' ARG . 17.4 p90 -107.13 -167.4 1.27 Allowed 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.092 -1.005 . . . . 0.0 109.99 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' TRP . 2.6 ttt180 40.99 72.95 0.14 Allowed 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.378 -0.826 . . . . 0.0 110.551 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -174.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.37 -0.831 . . . . 0.0 110.272 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' LEU . 2.4 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.261 0.553 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 3' ' ' PRO . 1.6 pp -41.33 144.12 0.75 Allowed Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.419 -0.801 . . . . 0.0 110.494 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.613 ' O ' HD12 ' A' ' 2' ' ' LEU . 47.8 Cg_endo -73.36 -169.13 0.49 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.996 1.524 . . . . 0.0 110.547 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.425 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -128.08 50.31 2.07 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.26 -0.9 . . . . 0.0 109.654 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.76 16.21 6.38 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.698 0.761 . . . . 0.0 110.424 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.662 ' CD1' ' O ' ' A' ' 7' ' ' PRO . 23.1 t-105 -59.84 149.01 74.58 Favored Pre-proline 0 C--N 1.294 -1.824 0 O-C-N 121.686 -0.634 . . . . 0.0 110.162 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.662 ' O ' ' CD1' ' A' ' 6' ' ' TRP . 48.2 Cg_endo -90.88 -168.19 0.26 Allowed 'Trans proline' 0 C--N 1.311 -1.437 0 O-C-N 123.759 1.4 . . . . 0.0 113.436 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 7' ' ' PRO . 9.4 m95 27.94 85.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.636 -0.665 . . . . 0.0 111.55 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.629 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 5.7 t-105 -47.32 148.61 2.17 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 121.55 -0.719 . . . . 0.0 110.374 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.629 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 47.3 Cg_endo -93.35 111.54 0.21 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 123.943 1.496 . . . . 0.0 110.567 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 p90 -108.43 -169.11 1.45 Allowed 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.105 -0.997 . . . . 0.0 109.723 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.83 53.35 0.24 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.308 -0.87 . . . . 0.0 110.702 -179.611 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.47 74.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.161 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.482 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.306 -1.293 0 O-C-N 119.84 -1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_