data_5h1h_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 5h1h _Structure_validation_residue.Date_analyzed 2017-04-14 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' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -80.27 157.37 73.15 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.81 -28.58 51.12 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.483 2.122 . . . . 0.0 113.405 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -133.02 120.3 21.18 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.71 -128.42 7.43 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.769 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.57 -165.24 1.57 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.512 0.325 . . . . 0.0 110.877 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -139.02 151.35 46.75 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.611 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -151.36 106.48 3.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' A' ' 16' ' ' LEU . 26.1 mmt180 -147.61 157.57 44.36 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.713 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.64 165.88 31.21 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.441 2.094 . . . . 0.0 112.282 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.22 122.98 9.21 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.397 2.065 . . . . 0.0 112.641 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.91 -106.01 0.38 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.53 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.97 -40.9 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.294 0.238 . . . . 0.0 111.514 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.6 m -138.13 99.17 9.09 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 123.331 0.395 . . . . 0.0 110.831 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.96 -179.78 5.75 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 121.734 1.623 . . . . 0.0 112.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.423 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 4.5 tp . . . . . 0 C--O 1.236 0.345 0 O-C-N 123.179 0.299 . . . . 0.0 110.558 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.95 143.85 27.44 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.147 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -80.83 9.61 3.71 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.691 2.261 . . . . 0.0 113.356 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -86.47 -26.49 24.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.82 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.36 31.58 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.066 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -134.81 151.82 51.24 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.402 0.281 . . . . 0.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -168.88 128.97 1.13 Allowed 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.226 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.86 158.27 44.36 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.231 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.47 83.13 17.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.047 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.0 165.86 23.71 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.807 2.338 . . . . 0.0 112.206 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.01 116.43 4.4 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.392 2.061 . . . . 0.0 112.777 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.14 -102.96 0.16 Allowed Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.384 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.79 -47.37 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.553 0.341 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -145.65 114.61 4.76 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-O 119.101 -0.476 . . . . 0.0 110.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -83.98 176.9 6.42 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 121.553 1.502 . . . . 0.0 113.505 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.694 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.453 ' N ' HD21 ' A' ' 16' ' ' LEU . 1.6 m . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -84.68 155.2 62.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.573 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.98 -11.17 18.05 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.65 2.233 . . . . 0.0 113.447 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.74 -20.2 22.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.353 0.408 . . . . 0.0 111.729 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.79 158.71 10.04 Favored Glycine 0 C--N 1.337 0.637 0 O-C-N 123.456 0.473 . . . . 0.0 112.703 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 64.12 142.68 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.009 0.924 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.638 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.2 m -139.47 142.41 37.36 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.168 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 96.8 mttt -144.42 108.33 4.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.935 0.398 . . . . 0.0 111.284 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 8' ' ' LYS . 24.9 mmt180 -151.23 157.99 34.81 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.585 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.26 165.46 32.55 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.393 2.062 . . . . 0.0 112.335 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.92 126.75 11.55 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.452 2.101 . . . . 0.0 112.683 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.36 -104.9 0.24 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -139.55 -38.64 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.315 0.246 . . . . 0.0 111.511 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.6 m -135.69 98.1 12.32 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 123.269 0.355 . . . . 0.0 110.831 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.67 179.96 6.01 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 121.702 1.601 . . . . 0.0 112.884 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.2 tt . . . . . 0 N--CA 1.464 0.241 0 O-C-N 123.276 0.36 . . . . 0.0 110.584 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.64 146.7 32.28 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.155 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -80.88 3.55 7.69 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.58 2.187 . . . . 0.0 113.554 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.9 -38.14 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.633 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.22 26.73 0.59 Allowed Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -131.32 86.48 2.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.328 0.585 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -139.66 152.0 46.39 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.298 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.77 119.47 13.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.366 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -139.53 106.65 7.09 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.265 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 166.55 29.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.483 2.122 . . . . 0.0 111.861 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.26 111.03 2.59 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.155 1.904 . . . . 0.0 112.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.75 -47.42 1.02 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.175 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -126.69 158.45 36.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.698 0.285 . . . . 0.0 111.52 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -141.02 112.65 6.81 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.602 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -84.85 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 121.399 1.399 . . . . 0.0 114.668 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.471 0.624 0 O-C-N 123.279 0.362 . . . . 0.0 111.737 -179.087 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.642 0.258 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -94.09 161.67 28.97 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.46 9.5 1.83 Allowed 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.56 2.174 . . . . 0.0 113.452 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.93 -28.18 21.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.752 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.83 3.03 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.111 -0.495 . . . . 0.0 113.319 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -94.53 148.27 22.42 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.733 0.301 . . . . 0.0 111.654 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 4.2 m -139.49 152.12 46.72 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.83 155.3 47.32 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' NE ' ' HB3' ' A' ' 15' ' ' PRO . 11.8 ptp180 -139.65 90.46 11.19 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -55.95 -45.8 35.95 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.92 2.413 . . . . 0.0 115.276 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.11 -42.62 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.019 1.813 . . . . 0.0 113.424 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.21 29.56 9.5 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.134 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.62 -44.4 0.99 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.422 0.289 . . . . 0.0 110.792 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -123.11 90.97 50.17 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.513 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB3' ' NE ' ' A' ' 9' ' ' ARG . 91.8 Cg_endo -77.57 173.36 14.31 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 121.937 1.758 . . . . 0.0 113.766 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.658 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 4.9 mp . . . . . 0 N--CA 1.466 0.367 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.043 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.565 0.221 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -97.87 160.19 29.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.87 8.73 2.61 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.562 2.175 . . . . 0.0 113.451 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.02 -28.81 19.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.82 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.62 -34.48 3.15 Favored Glycine 0 C--N 1.335 0.488 0 O-C-N 123.603 0.564 . . . . 0.0 113.275 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -92.84 141.74 28.1 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.451 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 12.2 m -139.53 166.73 23.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.005 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.51 153.52 47.5 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.986 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.48 116.86 8.56 Favored Pre-proline 0 CA--C 1.539 0.538 0 O-C-N 123.393 0.433 . . . . 0.0 111.127 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.54 167.7 20.14 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.495 2.13 . . . . 0.0 112.476 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.84 6.96 3.41 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.497 2.131 . . . . 0.0 113.517 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 -108.73 3.01 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.76 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -143.24 169.57 17.38 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.599 0.359 . . . . 0.0 111.164 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m 65.99 96.3 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.061 0.944 . . . . 0.0 111.941 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.02 176.01 9.81 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.9 1.734 . . . . 0.0 112.947 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 4.5 mp . . . . . 0 N--CA 1.469 0.508 0 O-C-N 123.412 0.445 . . . . 0.0 111.45 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.724 0.297 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -87.92 161.18 44.93 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.31 1.11 5.8 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.621 2.214 . . . . 0.0 113.603 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.71 -22.04 24.86 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.488 0.315 . . . . 0.0 111.691 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.06 -16.2 25.38 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.463 0.477 . . . . 0.0 113.474 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -98.36 138.18 35.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.714 0.292 . . . . 0.0 111.38 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.597 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 2.7 m -139.68 138.68 36.25 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.975 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -145.24 109.98 5.06 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 0.0 111.528 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 61.6 mtt180 -156.48 156.46 30.11 Favored Pre-proline 0 N--CA 1.47 0.558 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.538 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.47 166.0 30.43 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.347 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.01 124.76 10.85 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.408 2.072 . . . . 0.0 112.566 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.82 -105.73 0.37 Allowed Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.555 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.28 -41.52 0.64 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.319 0.248 . . . . 0.0 111.614 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -138.01 98.73 9.35 Favored Pre-proline 0 CA--C 1.546 0.806 0 O-C-N 123.333 0.396 . . . . 0.0 110.937 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.5 -179.76 5.74 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 121.804 1.669 . . . . 0.0 112.715 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 5.1 tp . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.683 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.767 0.318 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -128.62 125.13 23.01 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.826 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.74 -13.64 17.81 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.262 1.975 . . . . 0.0 113.444 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.06 -29.55 15.13 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.361 0.413 . . . . 0.0 111.662 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.99 -117.79 4.06 Favored Glycine 0 C--N 1.334 0.427 0 O-C-N 123.679 0.612 . . . . 0.0 112.383 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.48 149.22 52.61 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.331 0.252 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -139.37 149.96 44.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.336 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.83 142.56 36.61 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -139.57 97.27 8.34 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 123.292 0.37 . . . . 0.0 111.373 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' O ' ' A' ' 13' ' ' PHE . 7.9 Cg_exo -74.14 166.84 28.62 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.59 112.25 3.32 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.242 1.962 . . . . 0.0 112.82 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.05 -45.91 1.26 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.667 -0.697 . . . . 0.0 113.343 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 87.9 m-85 -106.58 151.41 25.06 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -141.77 110.22 6.14 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.713 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.72 -77.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 121.419 1.413 . . . . 0.0 114.377 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 N--CA 1.472 0.643 0 O-C-N 123.2 0.313 . . . . 0.0 111.59 -179.38 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.88 132.33 21.13 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.484 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.39 -22.2 14.39 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.349 2.033 . . . . 0.0 113.475 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.77 -13.89 14.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.564 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.55 -143.16 8.78 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.62 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.447 HH21 ' HZ2' ' A' ' 8' ' ' LYS . 75.6 mtp180 -108.35 155.98 19.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.398 0.279 . . . . 0.0 111.054 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -139.27 101.64 4.3 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' HZ2' HH21 ' A' ' 6' ' ' ARG . 94.0 mttt -152.08 115.75 4.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.544 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' HG3' ' H ' ' A' ' 16' ' ' LEU . 3.0 mmp_? -144.1 107.96 4.94 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.962 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.08 -43.14 59.52 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.889 2.392 . . . . 0.0 114.981 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -76.1 159.3 37.46 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 122.094 1.863 . . . . 0.0 112.726 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.41 54.01 0.67 Allowed Glycine 0 C--N 1.337 0.6 0 O-C-N 123.625 0.578 . . . . 0.0 112.669 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -128.53 -52.39 1.26 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.577 0.222 . . . . 0.0 110.842 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -139.44 71.13 38.86 Favored Pre-proline 0 CA--C 1.545 0.758 0 O-C-N 123.432 0.458 . . . . 0.0 110.54 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.21 178.77 6.03 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.407 2.072 . . . . 0.0 113.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 11.6 mt . . . . . 0 C--O 1.235 0.295 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.185 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.468 0.428 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -86.41 148.6 47.3 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.193 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.0 -31.19 3.16 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.611 2.207 . . . . 0.0 113.414 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -116.31 -18.48 10.49 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.71 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.63 -154.93 30.44 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 123.371 0.419 . . . . 0.0 112.663 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -101.46 166.7 10.59 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 122.393 0.277 . . . . 0.0 111.04 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 m -139.1 -154.03 0.5 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.23 -174.15 3.78 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.601 0.361 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.529 ' H ' ' CD ' ' A' ' 10' ' ' PRO . 99.4 mtt180 -139.35 -41.07 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 CA-C-O 118.5 -0.762 . . . . 0.0 112.393 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.529 ' CD ' ' H ' ' A' ' 9' ' ' ARG . 27.0 Cg_exo -63.68 109.86 1.14 Allowed 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 122.091 1.861 . . . . 0.0 112.653 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.0 156.26 66.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.687 2.258 . . . . 0.0 113.198 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.7 -83.41 0.05 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.155 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.77 -52.25 0.86 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.37 0.268 . . . . 0.0 110.799 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.9 t -144.24 91.01 6.51 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.416 0.448 . . . . 0.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.72 175.64 10.77 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 121.918 1.745 . . . . 0.0 113.219 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.469 0.505 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.727 -179.763 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 120.683 0.277 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -97.52 130.35 29.5 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.65 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.46 -17.03 18.89 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.263 1.975 . . . . 0.0 113.398 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.3 -22.31 15.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.711 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.53 -149.89 8.03 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.417 0.448 . . . . 0.0 112.696 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -97.79 169.18 9.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.47 0.308 . . . . 0.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 m -139.12 159.79 41.32 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.65 174.47 10.48 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.161 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -139.35 71.62 38.91 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-O 120.673 0.273 . . . . 0.0 110.964 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.33 168.69 16.43 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.131 2.554 . . . . 0.0 112.097 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.92 113.39 3.0 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.85 7.21 0.03 OUTLIER Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.66 -0.7 . . . . 0.0 113.476 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 70.94 -41.52 0.51 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.395 1.078 . . . . 0.0 113.081 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.2 p -127.41 92.32 43.74 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 123.08 0.237 . . . . 0.0 111.049 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -79.5 179.46 6.34 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 121.906 1.737 . . . . 0.0 113.01 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.242 -179.733 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.466 0.374 0 CA-C-O 120.695 0.283 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.425 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 71.5 m-85 -69.44 156.65 91.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.952 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.28 -9.88 26.16 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 122.696 2.264 . . . . 0.0 113.601 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -91.49 -13.11 32.77 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.336 0.397 . . . . 0.0 111.64 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.07 44.13 2.28 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 123.49 0.494 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' O ' ' HD1' ' A' ' 2' ' ' PHE . 98.9 mtt180 -133.16 129.41 37.82 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.76 -177.71 5.09 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.073 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.54 -35.61 0.53 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -139.78 70.2 36.92 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 123.274 0.359 . . . . 0.0 111.427 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.6 -46.54 26.44 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.739 2.293 . . . . 0.0 115.052 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -86.29 132.82 3.82 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.033 1.822 . . . . 0.0 113.445 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.7 -98.21 0.13 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.095 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -148.2 -53.03 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.075 0.55 . . . . 0.0 110.032 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -135.25 78.11 52.98 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.626 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.82 176.69 9.58 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.391 2.061 . . . . 0.0 113.704 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.232 179.804 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.83 155.78 45.1 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.84 -30.11 9.67 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.53 2.153 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -130.77 120.63 24.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.8 -121.52 4.66 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.582 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -136.57 167.43 21.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.737 0.304 . . . . 0.0 111.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.2 m -139.0 161.84 36.39 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.78 110.25 6.65 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.75 156.75 70.81 Favored Pre-proline 0 N--CA 1.468 0.459 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.194 -179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.15 167.75 22.85 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.507 2.138 . . . . 0.0 111.711 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.29 112.99 3.31 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.157 1.904 . . . . 0.0 112.746 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.06 -63.24 0.55 Allowed Glycine 0 C--N 1.339 0.701 0 CA-C-N 115.745 -0.661 . . . . 0.0 113.201 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.26 160.55 14.22 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 p -129.96 86.95 53.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.079 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.59 -43.55 0.17 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.671 2.248 . . . . 0.0 115.076 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.492 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.627 0.251 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -90.96 161.33 35.8 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.19 3.91 4.23 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.532 2.155 . . . . 0.0 113.532 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.55 -24.99 22.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.762 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.28 -22.32 10.37 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.46 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -95.69 139.11 32.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.399 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.602 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.6 m -139.57 160.0 40.87 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.58 159.76 41.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.46 71.32 38.49 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.98 -46.14 33.42 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.777 2.318 . . . . 0.0 115.224 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -82.89 -44.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 121.982 1.788 . . . . 0.0 113.448 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.38 16.87 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.18 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -132.47 -38.3 1.05 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.522 0.329 . . . . 0.0 111.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 p -126.51 95.54 37.94 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.449 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.97 172.27 15.85 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 121.788 1.658 . . . . 0.0 113.856 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.602 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 12.2 mt . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.206 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.414 ' HD2' ' O ' ' A' ' 6' ' ' ARG . 80.9 m-85 -83.48 153.76 65.4 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.74 -9.58 14.5 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.739 2.292 . . . . 0.0 113.534 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.62 -19.26 29.58 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.418 0.449 . . . . 0.0 111.946 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.55 40.72 1.0 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.881 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.414 ' O ' ' HD2' ' A' ' 2' ' ' PHE . 99.2 mtt180 -130.57 110.82 11.7 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.127 0.489 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -139.54 142.6 37.2 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.481 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.9 14.61 2.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.811 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -139.61 116.87 8.47 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.128 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.75 167.6 15.17 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.711 2.274 . . . . 0.0 112.711 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.88 131.86 26.78 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.448 2.099 . . . . 0.0 112.996 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.81 -104.13 0.23 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.411 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -108.74 -52.24 2.79 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.593 0.231 . . . . 0.0 110.954 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -138.89 74.4 37.81 Favored Pre-proline 0 CA--C 1.544 0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.581 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.06 178.18 6.11 Favored 'Trans proline' 0 C--N 1.368 1.578 0 C-N-CA 122.475 2.117 . . . . 0.0 113.245 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.277 179.658 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 120.774 0.321 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.424 ' HD2' ' O ' ' A' ' 6' ' ' ARG . 78.8 m-85 -96.95 139.31 21.47 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.849 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.18 -22.79 12.5 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.375 2.05 . . . . 0.0 113.158 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.62 -13.86 4.2 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.628 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.45 -134.18 6.12 Favored Glycine 0 C--N 1.341 0.845 0 O-C-N 123.33 0.394 . . . . 0.0 112.771 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' A' ' 2' ' ' PHE . 99.0 mtt180 -118.39 140.29 50.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.635 0.255 . . . . 0.0 111.072 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -139.41 154.03 47.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.047 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.74 158.99 43.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.269 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.47 69.95 38.98 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.089 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.05 169.65 12.83 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 123.103 2.535 . . . . 0.0 112.093 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.74 114.4 2.05 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.288 1.992 . . . . 0.0 112.443 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.97 109.72 3.42 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.58 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -67.39 108.78 2.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.187 0.518 . . . . 0.0 111.713 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.623 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 75.7 m -148.45 -51.26 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.748 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.623 ' HD2' ' H ' ' A' ' 14' ' ' SER . 33.5 Cg_endo -62.92 -177.77 0.35 Allowed 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.126 1.884 . . . . 0.0 113.394 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.413 HD23 ' H ' ' A' ' 16' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.97 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -85.52 156.56 59.09 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.072 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.81 -32.18 30.14 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.456 2.104 . . . . 0.0 113.144 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -138.07 115.39 11.09 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.502 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.5 -123.12 3.63 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.65 -170.23 2.51 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.482 0.313 . . . . 0.0 111.075 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.9 m -139.14 -175.67 4.24 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.981 0.512 . . . . 0.0 110.135 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.44 2.71 2.06 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -139.73 118.04 8.68 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-O 119.571 -0.252 . . . . 0.0 110.962 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.83 167.23 16.11 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.647 2.232 . . . . 0.0 112.728 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.83 133.77 28.2 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.399 2.066 . . . . 0.0 112.941 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.83 -94.35 0.1 OUTLIER Glycine 0 C--N 1.338 0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.281 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -122.92 108.58 13.12 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m 51.9 66.24 5.38 Favored Pre-proline 0 N--CA 1.484 1.245 0 C-N-CA 124.041 0.936 . . . . 0.0 112.328 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.09 179.23 4.78 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.35 2.033 . . . . 0.0 113.178 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.565 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 29.4 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 120.8 0.334 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -116.39 131.67 23.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.792 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.0 -29.5 6.65 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.357 2.038 . . . . 0.0 113.178 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -101.08 -18.02 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.529 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.24 -122.81 4.96 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.452 0.47 . . . . 0.0 112.419 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -134.13 141.49 47.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.091 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -139.48 160.15 40.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.624 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.53 139.18 36.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' H ' ' CD ' ' A' ' 10' ' ' PRO . 17.8 mmt180 -139.81 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.771 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' CD ' ' H ' ' A' ' 9' ' ' ARG . 50.3 Cg_exo -54.29 -40.09 84.0 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 122.381 2.054 . . . . 0.0 115.459 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.79 -25.93 54.32 Favored 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.25 1.967 . . . . 0.0 114.311 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.05 -77.67 0.28 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.353 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.81 149.65 21.14 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.746 0.308 . . . . 0.0 111.738 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -134.71 85.43 36.29 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.96 -28.56 7.55 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.641 2.227 . . . . 0.0 113.624 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 N--CA 1.467 0.4 0 O-C-N 123.549 0.531 . . . . 0.0 110.962 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 120.645 0.26 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.9 161.63 35.15 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.81 5.09 3.12 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.546 2.164 . . . . 0.0 113.638 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -88.36 -23.91 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.449 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -24.49 9.93 Favored Glycine 0 C--N 1.336 0.545 0 O-C-N 123.415 0.447 . . . . 0.0 113.398 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -95.95 141.89 28.83 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.702 0.287 . . . . 0.0 111.47 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.624 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.2 m -139.65 137.54 35.35 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.203 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -147.05 114.48 6.32 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.438 0.461 . . . . 0.0 111.325 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 16' ' ' LEU . 4.7 mtp180 -150.01 158.29 36.97 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.438 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.92 163.76 37.8 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.306 2.004 . . . . 0.0 112.36 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.75 117.63 4.81 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.421 2.081 . . . . 0.0 112.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.79 -104.35 0.18 Allowed Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.242 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -146.74 128.72 15.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.563 0.345 . . . . 0.0 110.963 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.6 m 60.35 90.07 0.1 OUTLIER Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 123.861 0.864 . . . . 0.0 112.073 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.26 179.84 6.13 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 121.899 1.733 . . . . 0.0 112.794 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.624 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 5.5 tp . . . . . 0 C--O 1.233 0.233 0 O-C-N 123.269 0.356 . . . . 0.0 110.606 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 CA-C-O 120.788 0.328 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.99 132.95 20.88 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.774 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.82 -28.45 7.86 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.322 2.015 . . . . 0.0 113.24 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -99.72 -26.98 13.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.618 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.69 -144.46 16.32 Favored Glycine 0 C--N 1.336 0.548 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -110.08 155.7 21.54 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.624 0.249 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -139.17 149.31 44.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.262 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -139.83 178.69 7.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.963 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -139.43 66.64 36.81 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 120.499 0.19 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.46 168.84 9.85 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 123.032 2.488 . . . . 0.0 112.268 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.08 115.51 4.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.199 1.932 . . . . 0.0 112.454 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.79 15.77 0.04 OUTLIER Glycine 0 C--N 1.339 0.744 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.275 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 70.58 -48.21 0.65 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.407 1.083 . . . . 0.0 112.887 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -131.64 95.18 23.83 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 123.063 0.227 . . . . 0.0 111.081 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.84 179.37 6.33 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 121.911 1.741 . . . . 0.0 113.039 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.465 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -80.27 157.37 73.15 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.81 -28.58 51.12 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.483 2.122 . . . . 0.0 113.405 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -133.02 120.3 21.18 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.71 -128.42 7.43 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.769 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.57 -165.24 1.57 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.512 0.325 . . . . 0.0 110.877 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -139.02 151.35 46.75 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.611 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -151.36 106.48 3.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' HG3' ' H ' ' A' ' 16' ' ' LEU . 26.1 mmt180 -147.61 157.57 44.36 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.713 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.64 165.88 31.21 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.441 2.094 . . . . 0.0 112.282 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.22 122.98 9.21 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.397 2.065 . . . . 0.0 112.641 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.91 -106.01 0.38 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.53 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.97 -40.9 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.294 0.238 . . . . 0.0 111.514 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.6 m -138.13 99.17 9.09 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 123.331 0.395 . . . . 0.0 110.831 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.96 -179.78 5.75 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 121.734 1.623 . . . . 0.0 112.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.495 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 4.5 tp . . . . . 0 C--O 1.236 0.345 0 O-C-N 123.179 0.299 . . . . 0.0 110.558 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.95 143.85 27.44 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.147 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -80.83 9.61 3.71 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.691 2.261 . . . . 0.0 113.356 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -86.47 -26.49 24.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.82 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.36 31.58 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.066 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -134.81 151.82 51.24 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.402 0.281 . . . . 0.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -168.88 128.97 1.13 Allowed 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.226 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.86 158.27 44.36 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.231 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.47 83.13 17.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.047 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.0 165.86 23.71 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.807 2.338 . . . . 0.0 112.206 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.01 116.43 4.4 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.392 2.061 . . . . 0.0 112.777 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.14 -102.96 0.16 Allowed Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.384 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.79 -47.37 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.553 0.341 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -145.65 114.61 4.76 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-O 119.101 -0.476 . . . . 0.0 110.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -83.98 176.9 6.42 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 121.553 1.502 . . . . 0.0 113.505 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.694 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.461 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.6 m . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -84.68 155.2 62.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.573 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.98 -11.17 18.05 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.65 2.233 . . . . 0.0 113.447 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.74 -20.2 22.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.353 0.408 . . . . 0.0 111.729 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.79 158.71 10.04 Favored Glycine 0 C--N 1.337 0.637 0 O-C-N 123.456 0.473 . . . . 0.0 112.703 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 64.12 142.68 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.009 0.924 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.646 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.2 m -139.47 142.41 37.36 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.168 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 96.8 mttt -144.42 108.33 4.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.935 0.398 . . . . 0.0 111.284 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' HG3' ' H ' ' A' ' 16' ' ' LEU . 24.9 mmt180 -151.23 157.99 34.81 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.585 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.26 165.46 32.55 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.393 2.062 . . . . 0.0 112.335 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.92 126.75 11.55 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.452 2.101 . . . . 0.0 112.683 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.36 -104.9 0.24 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -139.55 -38.64 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.315 0.246 . . . . 0.0 111.511 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.6 m -135.69 98.1 12.32 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 123.269 0.355 . . . . 0.0 110.831 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.67 179.96 6.01 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 121.702 1.601 . . . . 0.0 112.884 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.2 tt . . . . . 0 N--CA 1.464 0.241 0 O-C-N 123.276 0.36 . . . . 0.0 110.584 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.64 146.7 32.28 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.155 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -80.88 3.55 7.69 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.58 2.187 . . . . 0.0 113.554 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.9 -38.14 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.633 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.22 26.73 0.59 Allowed Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -131.32 86.48 2.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.328 0.585 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -139.66 152.0 46.39 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.298 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.77 119.47 13.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.366 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -139.53 106.65 7.09 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.265 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 166.55 29.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.483 2.122 . . . . 0.0 111.861 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.26 111.03 2.59 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.155 1.904 . . . . 0.0 112.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.75 -47.42 1.02 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.175 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -126.69 158.45 36.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.698 0.285 . . . . 0.0 111.52 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -141.02 112.65 6.81 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.602 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -84.85 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 121.399 1.399 . . . . 0.0 114.668 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.471 0.624 0 O-C-N 123.279 0.362 . . . . 0.0 111.737 -179.087 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.642 0.258 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -94.09 161.67 28.97 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.46 9.5 1.83 Allowed 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.56 2.174 . . . . 0.0 113.452 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.93 -28.18 21.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.752 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.83 3.03 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.111 -0.495 . . . . 0.0 113.319 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -94.53 148.27 22.42 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.733 0.301 . . . . 0.0 111.654 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.666 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 4.2 m -139.49 152.12 46.72 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.83 155.3 47.32 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' NE ' ' HB3' ' A' ' 15' ' ' PRO . 11.8 ptp180 -139.65 90.46 11.19 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -55.95 -45.8 35.95 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.92 2.413 . . . . 0.0 115.276 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.11 -42.62 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.019 1.813 . . . . 0.0 113.424 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.21 29.56 9.5 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.134 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.62 -44.4 0.99 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.422 0.289 . . . . 0.0 110.792 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -123.11 90.97 50.17 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.513 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HB3' ' NE ' ' A' ' 9' ' ' ARG . 91.8 Cg_endo -77.57 173.36 14.31 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 121.937 1.758 . . . . 0.0 113.766 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.666 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 4.9 mp . . . . . 0 N--CA 1.466 0.367 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.043 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.565 0.221 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -97.87 160.19 29.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.87 8.73 2.61 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.562 2.175 . . . . 0.0 113.451 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.02 -28.81 19.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.82 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.62 -34.48 3.15 Favored Glycine 0 C--N 1.335 0.488 0 O-C-N 123.603 0.564 . . . . 0.0 113.275 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -92.84 141.74 28.1 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.451 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 12.2 m -139.53 166.73 23.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.005 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.51 153.52 47.5 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.986 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.48 116.86 8.56 Favored Pre-proline 0 CA--C 1.539 0.538 0 O-C-N 123.393 0.433 . . . . 0.0 111.127 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.54 167.7 20.14 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.495 2.13 . . . . 0.0 112.476 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.84 6.96 3.41 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.497 2.131 . . . . 0.0 113.517 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 -108.73 3.01 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.76 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -143.24 169.57 17.38 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.599 0.359 . . . . 0.0 111.164 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m 65.99 96.3 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.061 0.944 . . . . 0.0 111.941 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.02 176.01 9.81 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.9 1.734 . . . . 0.0 112.947 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 4.5 mp . . . . . 0 N--CA 1.469 0.508 0 O-C-N 123.412 0.445 . . . . 0.0 111.45 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.724 0.297 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -87.92 161.18 44.93 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.31 1.11 5.8 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.621 2.214 . . . . 0.0 113.603 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.71 -22.04 24.86 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.488 0.315 . . . . 0.0 111.691 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.06 -16.2 25.38 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.463 0.477 . . . . 0.0 113.474 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -98.36 138.18 35.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.714 0.292 . . . . 0.0 111.38 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.601 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 2.7 m -139.68 138.68 36.25 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.975 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -145.24 109.98 5.06 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 0.0 111.528 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 61.6 mtt180 -156.48 156.46 30.11 Favored Pre-proline 0 N--CA 1.47 0.558 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.538 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.47 166.0 30.43 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.347 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.01 124.76 10.85 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.408 2.072 . . . . 0.0 112.566 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.82 -105.73 0.37 Allowed Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.555 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.28 -41.52 0.64 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.319 0.248 . . . . 0.0 111.614 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -138.01 98.73 9.35 Favored Pre-proline 0 CA--C 1.546 0.806 0 O-C-N 123.333 0.396 . . . . 0.0 110.937 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.5 -179.76 5.74 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 121.804 1.669 . . . . 0.0 112.715 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 5.1 tp . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.683 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.767 0.318 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 36.5 m-85 -128.62 125.13 23.01 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.826 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 2' ' ' PHE . 2.8 Cg_exo -76.74 -13.64 17.81 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.262 1.975 . . . . 0.0 113.444 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.06 -29.55 15.13 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.361 0.413 . . . . 0.0 111.662 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.99 -117.79 4.06 Favored Glycine 0 C--N 1.334 0.427 0 O-C-N 123.679 0.612 . . . . 0.0 112.383 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.48 149.22 52.61 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.331 0.252 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -139.37 149.96 44.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.336 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.83 142.56 36.61 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -139.57 97.27 8.34 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 123.292 0.37 . . . . 0.0 111.373 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 13' ' ' PHE . 7.9 Cg_exo -74.14 166.84 28.62 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.59 112.25 3.32 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.242 1.962 . . . . 0.0 112.82 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.05 -45.91 1.26 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.667 -0.697 . . . . 0.0 113.343 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 87.9 m-85 -106.58 151.41 25.06 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -141.77 110.22 6.14 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.713 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.72 -77.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 121.419 1.413 . . . . 0.0 114.377 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 N--CA 1.472 0.643 0 O-C-N 123.2 0.313 . . . . 0.0 111.59 -179.38 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.88 132.33 21.13 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.484 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.39 -22.2 14.39 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.349 2.033 . . . . 0.0 113.475 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.77 -13.89 14.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.564 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.55 -143.16 8.78 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.62 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -108.35 155.98 19.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.398 0.279 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -139.27 101.64 4.3 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -152.08 115.75 4.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.544 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' HG3' ' H ' ' A' ' 16' ' ' LEU . 3.0 mmp_? -144.1 107.96 4.94 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.962 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.08 -43.14 59.52 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.889 2.392 . . . . 0.0 114.981 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -76.1 159.3 37.46 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 122.094 1.863 . . . . 0.0 112.726 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.41 54.01 0.67 Allowed Glycine 0 C--N 1.337 0.6 0 O-C-N 123.625 0.578 . . . . 0.0 112.669 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -128.53 -52.39 1.26 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.577 0.222 . . . . 0.0 110.842 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -139.44 71.13 38.86 Favored Pre-proline 0 CA--C 1.545 0.758 0 O-C-N 123.432 0.458 . . . . 0.0 110.54 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.21 178.77 6.03 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.407 2.072 . . . . 0.0 113.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 11.6 mt . . . . . 0 C--O 1.235 0.295 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.185 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.468 0.428 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -86.41 148.6 47.3 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.193 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.0 -31.19 3.16 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.611 2.207 . . . . 0.0 113.414 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -116.31 -18.48 10.49 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.71 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.63 -154.93 30.44 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 123.371 0.419 . . . . 0.0 112.663 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -101.46 166.7 10.59 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 122.393 0.277 . . . . 0.0 111.04 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 m -139.1 -154.03 0.5 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.23 -174.15 3.78 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.601 0.361 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.618 ' H ' ' CD ' ' A' ' 10' ' ' PRO . 99.4 mtt180 -139.35 -41.07 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 CA-C-O 118.5 -0.762 . . . . 0.0 112.393 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.618 ' CD ' ' H ' ' A' ' 9' ' ' ARG . 27.0 Cg_exo -63.68 109.86 1.14 Allowed 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 122.091 1.861 . . . . 0.0 112.653 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.0 156.26 66.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.687 2.258 . . . . 0.0 113.198 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.7 -83.41 0.05 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.155 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.77 -52.25 0.86 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.37 0.268 . . . . 0.0 110.799 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.9 t -144.24 91.01 6.51 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.416 0.448 . . . . 0.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.72 175.64 10.77 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 121.918 1.745 . . . . 0.0 113.219 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.469 0.505 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.727 -179.763 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 120.683 0.277 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -97.52 130.35 29.5 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.65 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.46 -17.03 18.89 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.263 1.975 . . . . 0.0 113.398 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.3 -22.31 15.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.711 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.53 -149.89 8.03 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.417 0.448 . . . . 0.0 112.696 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -97.79 169.18 9.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.47 0.308 . . . . 0.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 m -139.12 159.79 41.32 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.65 174.47 10.48 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.161 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -139.35 71.62 38.91 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-O 120.673 0.273 . . . . 0.0 110.964 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.33 168.69 16.43 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.131 2.554 . . . . 0.0 112.097 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.92 113.39 3.0 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.85 7.21 0.03 OUTLIER Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.66 -0.7 . . . . 0.0 113.476 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 70.94 -41.52 0.51 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.395 1.078 . . . . 0.0 113.081 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.2 p -127.41 92.32 43.74 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 123.08 0.237 . . . . 0.0 111.049 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -79.5 179.46 6.34 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 121.906 1.737 . . . . 0.0 113.01 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.242 -179.733 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.466 0.374 0 CA-C-O 120.695 0.283 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.423 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 71.5 m-85 -69.44 156.65 91.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.952 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.28 -9.88 26.16 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 122.696 2.264 . . . . 0.0 113.601 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -91.49 -13.11 32.77 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.336 0.397 . . . . 0.0 111.64 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.07 44.13 2.28 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 123.49 0.494 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HD1' ' A' ' 2' ' ' PHE . 98.9 mtt180 -133.16 129.41 37.82 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.76 -177.71 5.09 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.073 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.54 -35.61 0.53 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -139.78 70.2 36.92 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 123.274 0.359 . . . . 0.0 111.427 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.6 -46.54 26.44 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.739 2.293 . . . . 0.0 115.052 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -86.29 132.82 3.82 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.033 1.822 . . . . 0.0 113.445 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.7 -98.21 0.13 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.095 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -148.2 -53.03 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.075 0.55 . . . . 0.0 110.032 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -135.25 78.11 52.98 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.626 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.82 176.69 9.58 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.391 2.061 . . . . 0.0 113.704 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.232 179.804 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.83 155.78 45.1 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.84 -30.11 9.67 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.53 2.153 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -130.77 120.63 24.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.8 -121.52 4.66 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.582 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -136.57 167.43 21.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.737 0.304 . . . . 0.0 111.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.2 m -139.0 161.84 36.39 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.78 110.25 6.65 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.75 156.75 70.81 Favored Pre-proline 0 N--CA 1.468 0.459 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.194 -179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.15 167.75 22.85 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.507 2.138 . . . . 0.0 111.711 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.29 112.99 3.31 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.157 1.904 . . . . 0.0 112.746 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.06 -63.24 0.55 Allowed Glycine 0 C--N 1.339 0.701 0 CA-C-N 115.745 -0.661 . . . . 0.0 113.201 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.26 160.55 14.22 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 p -129.96 86.95 53.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.079 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.59 -43.55 0.17 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.671 2.248 . . . . 0.0 115.076 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.492 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.627 0.251 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -90.96 161.33 35.8 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.19 3.91 4.23 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.532 2.155 . . . . 0.0 113.532 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.55 -24.99 22.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.762 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.28 -22.32 10.37 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.46 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -95.69 139.11 32.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.399 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.606 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.6 m -139.57 160.0 40.87 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.58 159.76 41.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.46 71.32 38.49 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.98 -46.14 33.42 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.777 2.318 . . . . 0.0 115.224 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -82.89 -44.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 121.982 1.788 . . . . 0.0 113.448 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.38 16.87 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.18 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -132.47 -38.3 1.05 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.522 0.329 . . . . 0.0 111.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 p -126.51 95.54 37.94 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.449 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.97 172.27 15.85 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 121.788 1.658 . . . . 0.0 113.856 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 12.2 mt . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.206 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 6' ' ' ARG . 80.9 m-85 -83.48 153.76 65.4 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.74 -9.58 14.5 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.739 2.292 . . . . 0.0 113.534 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.62 -19.26 29.58 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.418 0.449 . . . . 0.0 111.946 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.55 40.72 1.0 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.881 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' O ' ' HD2' ' A' ' 2' ' ' PHE . 99.2 mtt180 -130.57 110.82 11.7 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.127 0.489 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -139.54 142.6 37.2 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.481 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.9 14.61 2.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.811 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -139.61 116.87 8.47 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.128 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.75 167.6 15.17 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.711 2.274 . . . . 0.0 112.711 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.88 131.86 26.78 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.448 2.099 . . . . 0.0 112.996 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.81 -104.13 0.23 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.411 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -108.74 -52.24 2.79 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.593 0.231 . . . . 0.0 110.954 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -138.89 74.4 37.81 Favored Pre-proline 0 CA--C 1.544 0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.581 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.06 178.18 6.11 Favored 'Trans proline' 0 C--N 1.368 1.578 0 C-N-CA 122.475 2.117 . . . . 0.0 113.245 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.277 179.658 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 120.774 0.321 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.442 ' HB3' ' H ' ' A' ' 5' ' ' GLY . 78.8 m-85 -96.95 139.31 21.47 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.849 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.18 -22.79 12.5 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.375 2.05 . . . . 0.0 113.158 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.62 -13.86 4.2 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.628 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 2' ' ' PHE . . . -91.45 -134.18 6.12 Favored Glycine 0 C--N 1.341 0.845 0 O-C-N 123.33 0.394 . . . . 0.0 112.771 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' A' ' 2' ' ' PHE . 99.0 mtt180 -118.39 140.29 50.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.635 0.255 . . . . 0.0 111.072 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -139.41 154.03 47.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.047 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.74 158.99 43.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.269 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.47 69.95 38.98 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.089 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.05 169.65 12.83 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 123.103 2.535 . . . . 0.0 112.093 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.74 114.4 2.05 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.288 1.992 . . . . 0.0 112.443 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.97 109.72 3.42 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.58 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -67.39 108.78 2.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.187 0.518 . . . . 0.0 111.713 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.706 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 75.7 m -148.45 -51.26 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.748 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.706 ' HD2' ' H ' ' A' ' 14' ' ' SER . 33.5 Cg_endo -62.92 -177.77 0.35 Allowed 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.126 1.884 . . . . 0.0 113.394 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 16' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.97 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -85.52 156.56 59.09 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.072 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.81 -32.18 30.14 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.456 2.104 . . . . 0.0 113.144 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -138.07 115.39 11.09 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.502 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.5 -123.12 3.63 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.65 -170.23 2.51 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.482 0.313 . . . . 0.0 111.075 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.9 m -139.14 -175.67 4.24 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.981 0.512 . . . . 0.0 110.135 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.44 2.71 2.06 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -139.73 118.04 8.68 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-O 119.571 -0.252 . . . . 0.0 110.962 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.83 167.23 16.11 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.647 2.232 . . . . 0.0 112.728 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.83 133.77 28.2 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.399 2.066 . . . . 0.0 112.941 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.83 -94.35 0.1 OUTLIER Glycine 0 C--N 1.338 0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.281 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -122.92 108.58 13.12 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m 51.9 66.24 5.38 Favored Pre-proline 0 N--CA 1.484 1.245 0 C-N-CA 124.041 0.936 . . . . 0.0 112.328 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.09 179.23 4.78 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.35 2.033 . . . . 0.0 113.178 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 29.4 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 120.8 0.334 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -116.39 131.67 23.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.792 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 2' ' ' PHE . 3.0 Cg_exo -76.0 -29.5 6.65 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.357 2.038 . . . . 0.0 113.178 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -101.08 -18.02 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.529 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.24 -122.81 4.96 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.452 0.47 . . . . 0.0 112.419 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -134.13 141.49 47.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.091 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -139.48 160.15 40.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.624 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.53 139.18 36.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.553 ' H ' ' CD ' ' A' ' 10' ' ' PRO . 17.8 mmt180 -139.81 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.771 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' CD ' ' H ' ' A' ' 9' ' ' ARG . 50.3 Cg_exo -54.29 -40.09 84.0 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 122.381 2.054 . . . . 0.0 115.459 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.79 -25.93 54.32 Favored 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.25 1.967 . . . . 0.0 114.311 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.05 -77.67 0.28 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.353 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.81 149.65 21.14 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.746 0.308 . . . . 0.0 111.738 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -134.71 85.43 36.29 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.96 -28.56 7.55 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.641 2.227 . . . . 0.0 113.624 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 N--CA 1.467 0.4 0 O-C-N 123.549 0.531 . . . . 0.0 110.962 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 120.645 0.26 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.9 161.63 35.15 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.81 5.09 3.12 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.546 2.164 . . . . 0.0 113.638 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -88.36 -23.91 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.449 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -24.49 9.93 Favored Glycine 0 C--N 1.336 0.545 0 O-C-N 123.415 0.447 . . . . 0.0 113.398 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -95.95 141.89 28.83 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.702 0.287 . . . . 0.0 111.47 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.2 m -139.65 137.54 35.35 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.203 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -147.05 114.48 6.32 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.438 0.461 . . . . 0.0 111.325 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 16' ' ' LEU . 4.7 mtp180 -150.01 158.29 36.97 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.438 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.92 163.76 37.8 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.306 2.004 . . . . 0.0 112.36 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.75 117.63 4.81 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.421 2.081 . . . . 0.0 112.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.79 -104.35 0.18 Allowed Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.242 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -146.74 128.72 15.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.563 0.345 . . . . 0.0 110.963 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.6 m 60.35 90.07 0.1 OUTLIER Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 123.861 0.864 . . . . 0.0 112.073 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.26 179.84 6.13 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 121.899 1.733 . . . . 0.0 112.794 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 5.5 tp . . . . . 0 C--O 1.233 0.233 0 O-C-N 123.269 0.356 . . . . 0.0 110.606 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 CA-C-O 120.788 0.328 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.99 132.95 20.88 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.774 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.82 -28.45 7.86 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.322 2.015 . . . . 0.0 113.24 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -99.72 -26.98 13.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.618 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.69 -144.46 16.32 Favored Glycine 0 C--N 1.336 0.548 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -110.08 155.7 21.54 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.624 0.249 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -139.17 149.31 44.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.262 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -139.83 178.69 7.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.963 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -139.43 66.64 36.81 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 120.499 0.19 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.46 168.84 9.85 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 123.032 2.488 . . . . 0.0 112.268 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.08 115.51 4.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.199 1.932 . . . . 0.0 112.454 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.79 15.77 0.04 OUTLIER Glycine 0 C--N 1.339 0.744 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.275 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 70.58 -48.21 0.65 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.407 1.083 . . . . 0.0 112.887 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -131.64 95.18 23.83 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 123.063 0.227 . . . . 0.0 111.081 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.84 179.37 6.33 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 121.911 1.741 . . . . 0.0 113.039 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.465 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -80.27 157.37 73.15 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.81 -28.58 51.12 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 122.483 2.122 . . . . 0.0 113.405 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -133.02 120.3 21.18 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.71 -128.42 7.43 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.769 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.57 -165.24 1.57 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.512 0.325 . . . . 0.0 110.877 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -139.02 151.35 46.75 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.772 0.429 . . . . 0.0 110.611 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -151.36 106.48 3.31 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.765 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' HG3' ' H ' ' A' ' 16' ' ' LEU . 26.1 mmt180 -147.61 157.57 44.36 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.713 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.64 165.88 31.21 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.441 2.094 . . . . 0.0 112.282 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.22 122.98 9.21 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.397 2.065 . . . . 0.0 112.641 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.91 -106.01 0.38 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.53 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -138.97 -40.9 0.48 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.294 0.238 . . . . 0.0 111.514 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.6 m -138.13 99.17 9.09 Favored Pre-proline 0 CA--C 1.546 0.802 0 O-C-N 123.331 0.395 . . . . 0.0 110.831 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.96 -179.78 5.75 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 121.734 1.623 . . . . 0.0 112.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.495 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 4.5 tp . . . . . 0 C--O 1.236 0.345 0 O-C-N 123.179 0.299 . . . . 0.0 110.558 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 77.2 m . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -102.95 143.85 27.44 Favored Pre-proline 0 CA--C 1.538 0.488 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.147 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -80.83 9.61 3.71 Favored 'Trans proline' 0 C--N 1.374 1.915 0 C-N-CA 122.691 2.261 . . . . 0.0 113.356 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -86.47 -26.49 24.62 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.82 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 140.36 31.58 0.17 Allowed Glycine 0 C--N 1.334 0.47 0 CA-C-N 116.098 -0.501 . . . . 0.0 113.066 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -134.81 151.82 51.24 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.402 0.281 . . . . 0.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 t -168.88 128.97 1.13 Allowed 'General case' 0 C--N 1.344 0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.226 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.86 158.27 44.36 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.231 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.47 83.13 17.55 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.047 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -79.0 165.86 23.71 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.807 2.338 . . . . 0.0 112.206 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.01 116.43 4.4 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 122.392 2.061 . . . . 0.0 112.777 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.14 -102.96 0.16 Allowed Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.384 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -144.79 -47.37 0.24 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.553 0.341 . . . . 0.0 111.196 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -145.65 114.61 4.76 Favored Pre-proline 0 CA--C 1.543 0.675 0 CA-C-O 119.101 -0.476 . . . . 0.0 110.114 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -83.98 176.9 6.42 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 121.553 1.502 . . . . 0.0 113.505 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.953 -179.694 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.461 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.6 m . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -84.68 155.2 62.09 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.573 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.98 -11.17 18.05 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.65 2.233 . . . . 0.0 113.447 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.74 -20.2 22.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.353 0.408 . . . . 0.0 111.729 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.79 158.71 10.04 Favored Glycine 0 C--N 1.337 0.637 0 O-C-N 123.456 0.473 . . . . 0.0 112.703 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 64.12 142.68 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.009 0.924 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.646 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.2 m -139.47 142.41 37.36 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.168 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 96.8 mttt -144.42 108.33 4.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.935 0.398 . . . . 0.0 111.284 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' HG3' ' H ' ' A' ' 16' ' ' LEU . 24.9 mmt180 -151.23 157.99 34.81 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.585 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -73.26 165.46 32.55 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.393 2.062 . . . . 0.0 112.335 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.92 126.75 11.55 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.452 2.101 . . . . 0.0 112.683 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.36 -104.9 0.24 Allowed Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -139.55 -38.64 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.315 0.246 . . . . 0.0 111.511 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.6 m -135.69 98.1 12.32 Favored Pre-proline 0 CA--C 1.546 0.794 0 O-C-N 123.269 0.355 . . . . 0.0 110.831 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.67 179.96 6.01 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 121.702 1.601 . . . . 0.0 112.884 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 2.2 tt . . . . . 0 N--CA 1.464 0.241 0 O-C-N 123.276 0.36 . . . . 0.0 110.584 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -99.64 146.7 32.28 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.155 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -80.88 3.55 7.69 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.58 2.187 . . . . 0.0 113.554 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.9 -38.14 15.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.633 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.22 26.73 0.59 Allowed Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -131.32 86.48 2.36 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.328 0.585 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.4 t -139.66 152.0 46.39 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.298 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.77 119.47 13.25 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.366 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -139.53 106.65 7.09 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.265 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.92 166.55 29.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.483 2.122 . . . . 0.0 111.861 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -69.26 111.03 2.59 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 122.155 1.904 . . . . 0.0 112.556 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.75 -47.42 1.02 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.175 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -126.69 158.45 36.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.698 0.285 . . . . 0.0 111.52 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -141.02 112.65 6.81 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.602 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -84.85 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 121.399 1.399 . . . . 0.0 114.668 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.471 0.624 0 O-C-N 123.279 0.362 . . . . 0.0 111.737 -179.087 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.642 0.258 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -94.09 161.67 28.97 Favored Pre-proline 0 CA--C 1.542 0.639 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.46 9.5 1.83 Allowed 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.56 2.174 . . . . 0.0 113.452 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -87.93 -28.18 21.67 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.752 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.83 -35.83 3.03 Favored Glycine 0 C--N 1.336 0.557 0 CA-C-N 116.111 -0.495 . . . . 0.0 113.319 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -94.53 148.27 22.42 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.733 0.301 . . . . 0.0 111.654 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.666 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 4.2 m -139.49 152.12 46.72 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.83 155.3 47.32 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' NE ' ' HB3' ' A' ' 15' ' ' PRO . 11.8 ptp180 -139.65 90.46 11.19 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -55.95 -45.8 35.95 Favored 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 122.92 2.413 . . . . 0.0 115.276 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -81.11 -42.62 0.12 Allowed 'Trans proline' 0 C--N 1.383 2.355 0 C-N-CA 122.019 1.813 . . . . 0.0 113.424 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.21 29.56 9.5 Favored Glycine 0 CA--C 1.523 0.573 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.134 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -131.62 -44.4 0.99 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.422 0.289 . . . . 0.0 110.792 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -123.11 90.97 50.17 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.513 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HB3' ' NE ' ' A' ' 9' ' ' ARG . 91.8 Cg_endo -77.57 173.36 14.31 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 121.937 1.758 . . . . 0.0 113.766 -178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.666 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 4.9 mp . . . . . 0 N--CA 1.466 0.367 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.043 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.565 0.221 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -97.87 160.19 29.08 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.846 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.87 8.73 2.61 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.562 2.175 . . . . 0.0 113.451 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.02 -28.81 19.93 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.82 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.62 -34.48 3.15 Favored Glycine 0 C--N 1.335 0.488 0 O-C-N 123.603 0.564 . . . . 0.0 113.275 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -92.84 141.74 28.1 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.628 0.251 . . . . 0.0 111.451 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 12.2 m -139.53 166.73 23.81 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.005 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.51 153.52 47.5 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.986 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -139.48 116.86 8.56 Favored Pre-proline 0 CA--C 1.539 0.538 0 O-C-N 123.393 0.433 . . . . 0.0 111.127 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.54 167.7 20.14 Favored 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 122.495 2.13 . . . . 0.0 112.476 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.84 6.96 3.41 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.497 2.131 . . . . 0.0 113.517 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.05 -108.73 3.01 Favored Glycine 0 C--N 1.34 0.752 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.76 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -143.24 169.57 17.38 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 122.599 0.359 . . . . 0.0 111.164 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m 65.99 96.3 0.05 OUTLIER Pre-proline 0 N--CA 1.483 1.217 0 C-N-CA 124.061 0.944 . . . . 0.0 111.941 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.02 176.01 9.81 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.9 1.734 . . . . 0.0 112.947 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 4.5 mp . . . . . 0 N--CA 1.469 0.508 0 O-C-N 123.412 0.445 . . . . 0.0 111.45 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.724 0.297 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -87.92 161.18 44.93 Favored Pre-proline 0 CA--C 1.544 0.745 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.221 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.31 1.11 5.8 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 122.621 2.214 . . . . 0.0 113.603 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.71 -22.04 24.86 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.488 0.315 . . . . 0.0 111.691 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.06 -16.2 25.38 Favored Glycine 0 C--N 1.337 0.628 0 O-C-N 123.463 0.477 . . . . 0.0 113.474 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -98.36 138.18 35.98 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.714 0.292 . . . . 0.0 111.38 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.601 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 2.7 m -139.68 138.68 36.25 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.975 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -145.24 109.98 5.06 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.948 0.404 . . . . 0.0 111.528 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 16' ' ' LEU . 61.6 mtt180 -156.48 156.46 30.11 Favored Pre-proline 0 N--CA 1.47 0.558 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.538 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -74.47 166.0 30.43 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.397 2.065 . . . . 0.0 112.347 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.01 124.76 10.85 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.408 2.072 . . . . 0.0 112.566 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.82 -105.73 0.37 Allowed Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.555 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -136.28 -41.52 0.64 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.319 0.248 . . . . 0.0 111.614 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.5 m -138.01 98.73 9.35 Favored Pre-proline 0 CA--C 1.546 0.806 0 O-C-N 123.333 0.396 . . . . 0.0 110.937 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.5 -179.76 5.74 Favored 'Trans proline' 0 C--N 1.377 2.055 0 C-N-CA 121.804 1.669 . . . . 0.0 112.715 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 5.1 tp . . . . . 0 N--CA 1.464 0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.683 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.476 0 CA-C-O 120.767 0.318 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 36.5 m-85 -128.62 125.13 23.01 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.826 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 2' ' ' PHE . 2.8 Cg_exo -76.74 -13.64 17.81 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.262 1.975 . . . . 0.0 113.444 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -94.06 -29.55 15.13 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.361 0.413 . . . . 0.0 111.662 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.99 -117.79 4.06 Favored Glycine 0 C--N 1.334 0.427 0 O-C-N 123.679 0.612 . . . . 0.0 112.383 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.48 149.22 52.61 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 122.331 0.252 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.9 t -139.37 149.96 44.75 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.336 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.83 142.56 36.61 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -139.57 97.27 8.34 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 123.292 0.37 . . . . 0.0 111.373 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 13' ' ' PHE . 7.9 Cg_exo -74.14 166.84 28.62 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.678 2.252 . . . . 0.0 111.795 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.59 112.25 3.32 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.242 1.962 . . . . 0.0 112.82 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.05 -45.91 1.26 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.667 -0.697 . . . . 0.0 113.343 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.464 ' O ' ' HD2' ' A' ' 10' ' ' PRO . 87.9 m-85 -106.58 151.41 25.06 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -141.77 110.22 6.14 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.713 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.72 -77.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 121.419 1.413 . . . . 0.0 114.377 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 N--CA 1.472 0.643 0 O-C-N 123.2 0.313 . . . . 0.0 111.59 -179.38 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -103.88 132.33 21.13 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.484 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.39 -22.2 14.39 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.349 2.033 . . . . 0.0 113.475 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -108.77 -13.89 14.7 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.564 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.55 -143.16 8.78 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 121.422 -0.418 . . . . 0.0 112.62 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -108.35 155.98 19.92 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.398 0.279 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -139.27 101.64 4.3 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -152.08 115.75 4.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.544 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' HG3' ' H ' ' A' ' 16' ' ' LEU . 3.0 mmp_? -144.1 107.96 4.94 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.962 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.08 -43.14 59.52 Favored 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.889 2.392 . . . . 0.0 114.981 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -76.1 159.3 37.46 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 122.094 1.863 . . . . 0.0 112.726 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -120.41 54.01 0.67 Allowed Glycine 0 C--N 1.337 0.6 0 O-C-N 123.625 0.578 . . . . 0.0 112.669 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -128.53 -52.39 1.26 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.577 0.222 . . . . 0.0 110.842 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.4 m -139.44 71.13 38.86 Favored Pre-proline 0 CA--C 1.545 0.758 0 O-C-N 123.432 0.458 . . . . 0.0 110.54 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.21 178.77 6.03 Favored 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 122.407 2.072 . . . . 0.0 113.309 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' H ' ' HG3' ' A' ' 9' ' ' ARG . 11.6 mt . . . . . 0 C--O 1.235 0.295 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.185 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.5 t . . . . . 0 N--CA 1.468 0.428 0 CA-C-O 120.711 0.291 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -86.41 148.6 47.3 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.193 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.0 -31.19 3.16 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.611 2.207 . . . . 0.0 113.414 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -116.31 -18.48 10.49 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.71 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.63 -154.93 30.44 Favored Glycine 0 C--N 1.34 0.757 0 O-C-N 123.371 0.419 . . . . 0.0 112.663 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -101.46 166.7 10.59 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 122.393 0.277 . . . . 0.0 111.04 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.2 m -139.1 -154.03 0.5 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.23 -174.15 3.78 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 122.601 0.361 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.618 ' H ' ' CD ' ' A' ' 10' ' ' PRO . 99.4 mtt180 -139.35 -41.07 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.739 0 CA-C-O 118.5 -0.762 . . . . 0.0 112.393 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.618 ' CD ' ' H ' ' A' ' 9' ' ' ARG . 27.0 Cg_exo -63.68 109.86 1.14 Allowed 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 122.091 1.861 . . . . 0.0 112.653 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.0 156.26 66.53 Favored 'Trans proline' 0 C--N 1.375 1.946 0 C-N-CA 122.687 2.258 . . . . 0.0 113.198 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.7 -83.41 0.05 OUTLIER Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.155 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.77 -52.25 0.86 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.37 0.268 . . . . 0.0 110.799 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.9 t -144.24 91.01 6.51 Favored Pre-proline 0 CA--C 1.548 0.871 0 O-C-N 123.416 0.448 . . . . 0.0 110.43 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.72 175.64 10.77 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 121.918 1.745 . . . . 0.0 113.219 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.469 0.505 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.727 -179.763 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.468 0.463 0 CA-C-O 120.683 0.277 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -97.52 130.35 29.5 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.65 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -75.46 -17.03 18.89 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.263 1.975 . . . . 0.0 113.398 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.3 -22.31 15.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.711 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.53 -149.89 8.03 Favored Glycine 0 C--N 1.337 0.608 0 O-C-N 123.417 0.448 . . . . 0.0 112.696 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -97.79 169.18 9.85 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.47 0.308 . . . . 0.0 111.051 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 m -139.12 159.79 41.32 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.65 174.47 10.48 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.161 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -139.35 71.62 38.91 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-O 120.673 0.273 . . . . 0.0 110.964 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.33 168.69 16.43 Favored 'Trans proline' 0 C--N 1.368 1.604 0 C-N-CA 123.131 2.554 . . . . 0.0 112.097 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.92 113.39 3.0 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.85 7.21 0.03 OUTLIER Glycine 0 CA--C 1.524 0.598 0 CA-C-N 115.66 -0.7 . . . . 0.0 113.476 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 70.94 -41.52 0.51 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.395 1.078 . . . . 0.0 113.081 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.2 p -127.41 92.32 43.74 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 123.08 0.237 . . . . 0.0 111.049 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -79.5 179.46 6.34 Favored 'Trans proline' 0 C--N 1.377 2.027 0 C-N-CA 121.906 1.737 . . . . 0.0 113.01 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.465 0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.242 -179.733 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 12.3 m . . . . . 0 N--CA 1.466 0.374 0 CA-C-O 120.695 0.283 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.423 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 71.5 m-85 -69.44 156.65 91.25 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.952 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -71.28 -9.88 26.16 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 122.696 2.264 . . . . 0.0 113.601 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -91.49 -13.11 32.77 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.336 0.397 . . . . 0.0 111.64 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.07 44.13 2.28 Favored Glycine 0 C--N 1.34 0.771 0 O-C-N 123.49 0.494 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HD1' ' A' ' 2' ' ' PHE . 98.9 mtt180 -133.16 129.41 37.82 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.752 0.311 . . . . 0.0 111.006 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -139.76 -177.71 5.09 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.073 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.54 -35.61 0.53 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -139.78 70.2 36.92 Favored Pre-proline 0 CA--C 1.545 0.772 0 O-C-N 123.274 0.359 . . . . 0.0 111.427 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.6 -46.54 26.44 Favored 'Trans proline' 0 C--N 1.372 1.769 0 C-N-CA 122.739 2.293 . . . . 0.0 115.052 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -86.29 132.82 3.82 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.033 1.822 . . . . 0.0 113.445 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.7 -98.21 0.13 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.095 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -148.2 -53.03 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.075 0.55 . . . . 0.0 110.032 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m -135.25 78.11 52.98 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.626 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -78.82 176.69 9.58 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.391 2.061 . . . . 0.0 113.704 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.236 0.36 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.232 179.804 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -90.83 155.78 45.1 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.12 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.84 -30.11 9.67 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.53 2.153 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -130.77 120.63 24.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.484 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.8 -121.52 4.66 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.582 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -136.57 167.43 21.4 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.737 0.304 . . . . 0.0 111.187 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.2 m -139.0 161.84 36.39 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.536 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -139.78 110.25 6.65 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.75 156.75 70.81 Favored Pre-proline 0 N--CA 1.468 0.459 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.194 -179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -78.15 167.75 22.85 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.507 2.138 . . . . 0.0 111.711 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -70.29 112.99 3.31 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.157 1.904 . . . . 0.0 112.746 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.06 -63.24 0.55 Allowed Glycine 0 C--N 1.339 0.701 0 CA-C-N 115.745 -0.661 . . . . 0.0 113.201 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -98.26 160.55 14.22 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.701 0.286 . . . . 0.0 111.667 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 p -129.96 86.95 53.2 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.079 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.59 -43.55 0.17 Allowed 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.671 2.248 . . . . 0.0 115.076 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.47 0.569 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.492 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 120.627 0.251 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -90.96 161.33 35.8 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.095 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -73.19 3.91 4.23 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.532 2.155 . . . . 0.0 113.532 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.55 -24.99 22.74 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.762 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.28 -22.32 10.37 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 113.46 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -95.69 139.11 32.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.721 0.296 . . . . 0.0 111.399 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.606 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.6 m -139.57 160.0 40.87 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.58 159.76 41.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -139.46 71.32 38.49 Favored Pre-proline 0 CA--C 1.544 0.749 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.98 -46.14 33.42 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.777 2.318 . . . . 0.0 115.224 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -82.89 -44.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.383 2.359 0 C-N-CA 121.982 1.788 . . . . 0.0 113.448 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.38 16.87 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.18 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -132.47 -38.3 1.05 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 122.522 0.329 . . . . 0.0 111.04 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 p -126.51 95.54 37.94 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.449 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.97 172.27 15.85 Favored 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 121.788 1.658 . . . . 0.0 113.856 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 12.2 mt . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.206 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.759 0.314 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 6' ' ' ARG . 80.9 m-85 -83.48 153.76 65.4 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.74 -9.58 14.5 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.739 2.292 . . . . 0.0 113.534 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -86.62 -19.26 29.58 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.418 0.449 . . . . 0.0 111.946 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 113.55 40.72 1.0 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.881 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' O ' ' HD2' ' A' ' 2' ' ' PHE . 99.2 mtt180 -130.57 110.82 11.7 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.127 0.489 . . . . 0.0 110.816 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -139.54 142.6 37.2 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.481 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.9 14.61 2.48 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.811 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -139.61 116.87 8.47 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.128 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.75 167.6 15.17 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.711 2.274 . . . . 0.0 112.711 179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.88 131.86 26.78 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.448 2.099 . . . . 0.0 112.996 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.81 -104.13 0.23 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.411 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -108.74 -52.24 2.79 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.593 0.231 . . . . 0.0 110.954 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -138.89 74.4 37.81 Favored Pre-proline 0 CA--C 1.544 0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.581 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.06 178.18 6.11 Favored 'Trans proline' 0 C--N 1.368 1.578 0 C-N-CA 122.475 2.117 . . . . 0.0 113.245 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.277 179.658 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 CA-C-O 120.774 0.321 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.442 ' HB3' ' H ' ' A' ' 5' ' ' GLY . 78.8 m-85 -96.95 139.31 21.47 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.849 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.18 -22.79 12.5 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.375 2.05 . . . . 0.0 113.158 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -129.62 -13.86 4.2 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.628 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 2' ' ' PHE . . . -91.45 -134.18 6.12 Favored Glycine 0 C--N 1.341 0.845 0 O-C-N 123.33 0.394 . . . . 0.0 112.771 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' A' ' 2' ' ' PHE . 99.0 mtt180 -118.39 140.29 50.08 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.635 0.255 . . . . 0.0 111.072 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -139.41 154.03 47.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.047 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.74 158.99 43.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.269 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -139.47 69.95 38.98 Favored Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.089 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.05 169.65 12.83 Favored 'Trans proline' 0 C--N 1.369 1.638 0 C-N-CA 123.103 2.535 . . . . 0.0 112.093 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.74 114.4 2.05 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.288 1.992 . . . . 0.0 112.443 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.97 109.72 3.42 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.58 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -67.39 108.78 2.91 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.187 0.518 . . . . 0.0 111.713 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.706 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 75.7 m -148.45 -51.26 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.748 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.706 ' HD2' ' H ' ' A' ' 14' ' ' SER . 33.5 Cg_endo -62.92 -177.77 0.35 Allowed 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.126 1.884 . . . . 0.0 113.394 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 16' ' ' LEU . 2.5 pt? . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.97 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -85.52 156.56 59.09 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.072 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.81 -32.18 30.14 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.456 2.104 . . . . 0.0 113.144 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -138.07 115.39 11.09 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.502 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.5 -123.12 3.63 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -134.65 -170.23 2.51 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.482 0.313 . . . . 0.0 111.075 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.9 m -139.14 -175.67 4.24 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 122.981 0.512 . . . . 0.0 110.135 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -139.44 2.71 2.06 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -139.73 118.04 8.68 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-O 119.571 -0.252 . . . . 0.0 110.962 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.83 167.23 16.11 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 122.647 2.232 . . . . 0.0 112.728 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.83 133.77 28.2 Favored 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 122.399 2.066 . . . . 0.0 112.941 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.83 -94.35 0.1 OUTLIER Glycine 0 C--N 1.338 0.658 0 CA-C-N 115.683 -0.69 . . . . 0.0 112.281 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -122.92 108.58 13.12 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.848 0.356 . . . . 0.0 110.347 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m 51.9 66.24 5.38 Favored Pre-proline 0 N--CA 1.484 1.245 0 C-N-CA 124.041 0.936 . . . . 0.0 112.328 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.09 179.23 4.78 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.35 2.033 . . . . 0.0 113.178 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.574 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 29.4 mt . . . . . 0 C--O 1.234 0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.467 0.412 0 CA-C-O 120.8 0.334 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -116.39 131.67 23.71 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.792 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 2' ' ' PHE . 3.0 Cg_exo -76.0 -29.5 6.65 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.357 2.038 . . . . 0.0 113.178 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -101.08 -18.02 16.42 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.529 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.24 -122.81 4.96 Favored Glycine 0 C--N 1.339 0.724 0 O-C-N 123.452 0.47 . . . . 0.0 112.419 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -134.13 141.49 47.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.672 0.272 . . . . 0.0 111.091 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -139.48 160.15 40.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.624 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -139.53 139.18 36.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.553 ' H ' ' CD ' ' A' ' 10' ' ' PRO . 17.8 mmt180 -139.81 -45.12 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.771 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.553 ' CD ' ' H ' ' A' ' 9' ' ' ARG . 50.3 Cg_exo -54.29 -40.09 84.0 Favored 'Trans proline' 0 C--N 1.386 2.508 0 C-N-CA 122.381 2.054 . . . . 0.0 115.459 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.79 -25.93 54.32 Favored 'Trans proline' 0 C--N 1.387 2.59 0 C-N-CA 122.25 1.967 . . . . 0.0 114.311 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.05 -77.67 0.28 Allowed Glycine 0 C--N 1.334 0.42 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.353 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.81 149.65 21.14 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.746 0.308 . . . . 0.0 111.738 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -134.71 85.43 36.29 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.062 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.96 -28.56 7.55 Favored 'Trans proline' 0 C--N 1.372 1.772 0 C-N-CA 122.641 2.227 . . . . 0.0 113.624 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 N--CA 1.467 0.4 0 O-C-N 123.549 0.531 . . . . 0.0 110.962 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 120.645 0.26 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -90.9 161.63 35.15 Favored Pre-proline 0 CA--C 1.544 0.718 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.115 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -72.81 5.09 3.12 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.546 2.164 . . . . 0.0 113.638 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -88.36 -23.91 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.449 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 116.17 -24.49 9.93 Favored Glycine 0 C--N 1.336 0.545 0 O-C-N 123.415 0.447 . . . . 0.0 113.398 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -95.95 141.89 28.83 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.702 0.287 . . . . 0.0 111.47 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 3.2 m -139.65 137.54 35.35 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.203 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -147.05 114.48 6.32 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.438 0.461 . . . . 0.0 111.325 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 16' ' ' LEU . 4.7 mtp180 -150.01 158.29 36.97 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.438 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.92 163.76 37.8 Favored 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.306 2.004 . . . . 0.0 112.36 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.75 117.63 4.81 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 122.421 2.081 . . . . 0.0 112.857 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.79 -104.35 0.18 Allowed Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.242 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -146.74 128.72 15.48 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.563 0.345 . . . . 0.0 110.963 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.6 m 60.35 90.07 0.1 OUTLIER Pre-proline 0 N--CA 1.481 1.086 0 C-N-CA 123.861 0.864 . . . . 0.0 112.073 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.26 179.84 6.13 Favored 'Trans proline' 0 C--N 1.375 1.961 0 C-N-CA 121.899 1.733 . . . . 0.0 112.794 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 5.5 tp . . . . . 0 C--O 1.233 0.233 0 O-C-N 123.269 0.356 . . . . 0.0 110.606 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.501 0 CA-C-O 120.788 0.328 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.99 132.95 20.88 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.774 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.82 -28.45 7.86 Favored 'Trans proline' 0 C--N 1.378 2.112 0 C-N-CA 122.322 2.015 . . . . 0.0 113.24 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -99.72 -26.98 13.87 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.618 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.69 -144.46 16.32 Favored Glycine 0 C--N 1.336 0.548 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.524 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -110.08 155.7 21.54 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.624 0.249 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -139.17 149.31 44.28 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.262 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -139.83 178.69 7.07 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.963 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -139.43 66.64 36.81 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-O 120.499 0.19 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.46 168.84 9.85 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 123.032 2.488 . . . . 0.0 112.268 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.08 115.51 4.38 Favored 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.199 1.932 . . . . 0.0 112.454 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.79 15.77 0.04 OUTLIER Glycine 0 C--N 1.339 0.744 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.275 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 70.58 -48.21 0.65 Allowed 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 124.407 1.083 . . . . 0.0 112.887 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m -131.64 95.18 23.83 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 123.063 0.227 . . . . 0.0 111.081 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -79.84 179.37 6.33 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 121.911 1.741 . . . . 0.0 113.039 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.465 0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 -179.872 . . . . . . . . 0 0 . 1 stop_ save_