data_1ih9_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 1ih9 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -73.74 -43.48 59.0 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.9 -36.62 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 164.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -61.68 -42.13 98.5 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 170.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.59 -26.59 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 120.636 -1.29 . . . . 0.0 113.109 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.0 m -68.22 -50.82 51.6 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 120.741 1.61 . . . . 0.0 113.976 169.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.588 0 CA-C-N 120.674 1.579 . . . . 0.0 114.681 170.199 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.95 -13.06 58.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.522 0 CA-C-N 120.779 1.627 . . . . 0.0 112.198 173.656 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -95.97 13.75 25.9 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.605 3.069 0 C-N-CA 125.887 1.675 . . . . 0.0 108.671 149.785 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.468 0 CA-C-N 121.074 1.761 . . . . 0.0 113.316 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.68 -29.87 28.84 Favored 'Trans proline' 0 C--N 1.375 1.965 0 CA-C-N 124.486 2.638 . . . . 0.0 117.484 161.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.269 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -71.6 -24.55 61.91 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.93 -46.14 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 CA-C-N 120.692 1.587 . . . . 0.0 112.014 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -55.13 -40.98 71.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 165.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.46 -26.79 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.562 -1.336 . . . . 0.0 114.322 173.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.8 m -72.52 -45.35 59.77 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.853 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.412 0 CA-C-N 121.42 1.918 . . . . 0.0 114.382 168.612 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.93 -13.69 59.17 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.628 0 CA-C-N 120.799 1.636 . . . . 0.0 112.164 173.083 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -95.26 13.47 25.46 Favored 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 166.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.603 3.007 0 C-N-CA 125.903 1.681 . . . . 0.0 108.855 150.308 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.524 0 CA-C-N 121.197 1.817 . . . . 0.0 113.674 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.25 -32.01 21.6 Favored 'Trans proline' 0 C--N 1.373 1.843 0 CA-C-N 124.619 2.686 . . . . 0.0 117.233 159.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -73.96 -34.8 64.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.263 3.5 mp -74.07 -45.22 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-N 120.436 1.471 . . . . 0.0 112.711 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.74 -42.06 67.73 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 165.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.31 -27.3 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 120.55 -1.344 . . . . 0.0 114.171 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 m -71.65 -49.12 42.88 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.282 -1.342 . . . . 0.0 114.055 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.641 0 CA-C-N 120.891 1.678 . . . . 0.0 114.501 168.724 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -78.07 -14.83 59.35 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.568 0 CA-C-N 120.823 1.647 . . . . 0.0 112.23 172.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -96.12 14.9 22.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 166.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.603 3.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.523 150.183 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.502 0 CA-C-N 121.023 1.738 . . . . 0.0 113.448 179.083 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.33 -30.16 24.75 Favored 'Trans proline' 0 C--N 1.376 1.985 0 CA-C-N 124.684 2.709 . . . . 0.0 117.488 160.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.25 -32.56 33.27 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt -68.91 -31.84 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 158.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.0 -42.59 99.32 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.707 1.594 . . . . 0.0 114.155 168.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.304 0.9 OUTLIER -61.25 -25.46 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 174.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.6 m -78.37 -50.17 12.24 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 117.472 -1.251 . . . . 0.0 113.361 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.559 0 CA-C-N 120.545 1.52 . . . . 0.0 114.638 170.446 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.0 -12.65 58.21 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.571 0 CA-C-N 121.141 1.791 . . . . 0.0 112.306 170.54 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -95.09 14.54 21.64 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 166.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.044 0 C-N-CA 125.954 1.702 . . . . 0.0 108.591 150.539 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.521 0 CA-C-N 120.879 1.672 . . . . 0.0 113.22 178.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 -28.57 26.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 CA-C-N 124.473 2.633 . . . . 0.0 117.752 161.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -73.58 -41.24 63.16 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.15 -31.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.06 169.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.7 -46.52 81.18 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 121.687 2.04 . . . . 0.0 114.719 165.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.279 0.8 OUTLIER -62.01 -23.62 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.095 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.2 m -80.28 -48.46 13.0 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.756 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.469 0 CA-C-N 121.063 1.756 . . . . 0.0 114.544 169.49 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.39 -12.21 56.74 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.624 0 CA-C-N 121.073 1.76 . . . . 0.0 112.203 170.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -94.88 12.47 28.07 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 166.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.605 3.064 0 C-N-CA 125.694 1.598 . . . . 0.0 108.58 150.336 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.453 0 CA-C-N 120.992 1.724 . . . . 0.0 113.511 179.34 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 -30.86 15.0 Favored 'Trans proline' 0 C--N 1.372 1.809 0 CA-C-N 124.252 2.554 . . . . 0.0 117.732 160.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -71.56 -42.71 67.5 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.273 2.6 pp -65.6 -37.23 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 169.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.23 -46.27 75.98 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 163.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.5 mt -63.89 -30.68 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.094 0 O-C-N 120.94 -1.1 . . . . 0.0 113.178 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -69.79 -46.44 65.73 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 116.857 -1.544 . . . . 0.0 114.534 172.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.623 0 CA-C-N 121.339 1.881 . . . . 0.0 114.405 166.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -76.65 -15.65 59.75 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.611 0 CA-C-N 120.918 1.69 . . . . 0.0 112.362 174.349 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -96.55 14.45 24.67 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 166.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.605 3.075 0 C-N-CA 125.856 1.663 . . . . 0.0 108.477 149.339 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.527 0 CA-C-N 121.107 1.776 . . . . 0.0 113.515 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.8 -28.64 29.93 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 124.671 2.704 . . . . 0.0 117.446 161.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -46.66 27.23 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -67.44 -41.47 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 CA-C-O 117.722 -1.132 . . . . 0.0 112.329 173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.72 -43.71 72.83 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 166.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.91 -23.73 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 170.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.7 m -72.76 -50.95 21.19 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.517 1.508 . . . . 0.0 113.822 169.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.566 0 CA-C-N 121.005 1.73 . . . . 0.0 114.565 169.698 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 mt -81.49 -12.39 58.88 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.497 0 CA-C-N 121.046 1.748 . . . . 0.0 112.348 171.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -95.17 14.11 23.18 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 166.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.605 3.066 0 C-N-CA 126.228 1.811 . . . . 0.0 108.23 151.063 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.517 0 CA-C-N 120.725 1.602 . . . . 0.0 113.473 179.174 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.49 -27.92 27.17 Favored 'Trans proline' 0 C--N 1.372 1.786 0 CA-C-N 124.535 2.655 . . . . 0.0 117.67 161.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -70.73 -45.12 65.43 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.316 0.2 OUTLIER -67.81 -35.05 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 171.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -58.55 -44.79 89.78 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 163.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.8 -27.61 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 O-C-N 120.607 -1.308 . . . . 0.0 114.015 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.2 m -71.43 -48.95 46.3 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 117.269 -1.348 . . . . 0.0 114.288 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.59 0 CA-C-N 121.249 1.841 . . . . 0.0 114.172 170.433 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.89 -14.82 59.01 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.625 0 CA-C-N 121.231 1.832 . . . . 0.0 112.204 173.153 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -95.36 14.83 21.17 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.606 3.101 0 C-N-CA 126.151 1.78 . . . . 0.0 108.102 150.105 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.532 0 CA-C-N 120.856 1.662 . . . . 0.0 113.035 179.163 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.43 -27.12 28.43 Favored 'Trans proline' 0 C--N 1.373 1.868 0 CA-C-N 124.53 2.653 . . . . 0.0 117.959 162.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.14 -44.24 48.02 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 123.921 0.763 . . . . 0.0 112.906 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 tt -71.79 -25.74 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.07 -42.7 96.9 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 120.775 1.625 . . . . 0.0 114.256 165.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.279 0.7 OUTLIER -63.11 -25.17 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.219 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -80.18 -44.85 19.11 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 116.84 -1.553 . . . . 0.0 113.465 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.455 0 CA-C-N 121.464 1.938 . . . . 0.0 114.117 169.468 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.55 -13.19 59.71 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.676 0 CA-C-N 121.075 1.761 . . . . 0.0 112.188 171.606 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -95.78 14.37 23.48 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 167.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.035 0 C-N-CA 125.953 1.701 . . . . 0.0 109.007 149.484 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.506 0 CA-C-N 121.302 1.864 . . . . 0.0 113.201 179.744 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.81 -29.87 22.96 Favored 'Trans proline' 0 C--N 1.375 1.957 0 CA-C-N 124.445 2.623 . . . . 0.0 117.532 161.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -71.13 -55.4 8.26 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.253 2.9 mp -65.2 -36.06 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 CA-C-N 119.569 1.077 . . . . 0.0 112.939 177.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -57.1 -43.87 82.68 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 164.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.67 -29.04 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.626 -1.296 . . . . 0.0 113.976 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.8 m -70.09 -46.6 64.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.174 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.571 0 CA-C-N 121.118 1.781 . . . . 0.0 114.302 168.09 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.12 -16.57 60.53 Favored 'General case' 0 CA--C 1.566 1.558 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.614 0 CA-C-N 120.821 1.646 . . . . 0.0 112.201 173.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -95.84 14.33 23.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 165.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.043 0 C-N-CA 125.925 1.69 . . . . 0.0 108.547 149.484 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.487 0 CA-C-N 120.859 1.663 . . . . 0.0 113.243 179.21 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.36 -27.5 23.54 Favored 'Trans proline' 0 C--N 1.376 2.002 0 CA-C-N 124.479 2.635 . . . . 0.0 117.688 161.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -69.11 -53.31 20.92 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.83 -39.09 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.45 -40.03 85.5 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 170.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -66.21 -22.87 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 O-C-N 120.482 -1.386 . . . . 0.0 113.575 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.3 m -72.72 -48.8 35.68 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.242 170.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.617 0 CA-C-N 120.882 1.673 . . . . 0.0 114.68 166.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 mt -77.9 -15.91 58.65 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.6 0 CA-C-N 120.909 1.686 . . . . 0.0 112.504 174.533 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -96.85 15.26 22.61 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 166.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.603 2.997 0 C-N-CA 126.005 1.722 . . . . 0.0 108.093 149.458 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.52 0 CA-C-N 120.948 1.704 . . . . 0.0 113.359 179.22 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.52 -28.8 25.95 Favored 'Trans proline' 0 C--N 1.375 1.951 0 CA-C-N 124.603 2.68 . . . . 0.0 117.694 161.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -71.84 -46.94 56.32 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.656 0.597 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.29 9.9 tp -62.83 -33.09 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 169.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.03 -43.56 98.57 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mm -65.58 -25.0 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.0 0 O-C-N 120.389 -1.444 . . . . 0.0 114.13 172.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.4 m -69.35 -49.29 56.93 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 120.223 1.374 . . . . 0.0 113.929 168.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.648 0 CA-C-N 121.035 1.743 . . . . 0.0 114.625 169.291 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.63 -14.33 58.26 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.539 0 CA-C-N 120.822 1.646 . . . . 0.0 112.428 173.777 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -96.17 14.86 22.57 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.039 0 C-N-CA 125.964 1.706 . . . . 0.0 108.485 149.727 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.515 0 CA-C-N 120.965 1.711 . . . . 0.0 113.117 179.257 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.61 -28.41 25.99 Favored 'Trans proline' 0 C--N 1.375 1.936 0 CA-C-N 124.52 2.65 . . . . 0.0 117.704 161.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -77.1 -54.3 6.69 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 123.815 0.697 . . . . 0.0 111.917 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.83 -25.31 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 166.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -60.49 -48.13 83.13 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.631 1.559 . . . . 0.0 113.81 166.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.283 0.7 OUTLIER -62.89 -27.6 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 171.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.9 m -76.84 -49.66 15.25 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.467 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.559 0 CA-C-N 121.125 1.784 . . . . 0.0 114.403 170.736 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.64 -11.35 57.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.488 0 CA-C-N 120.704 1.593 . . . . 0.0 111.813 171.54 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -95.87 13.56 26.35 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.864 1.801 . . . . 0.0 115.864 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.607 3.161 0 C-N-CA 126.017 1.727 . . . . 0.0 108.01 149.862 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.379 0 CA-C-N 120.916 1.689 . . . . 0.0 113.548 179.67 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.67 -32.11 24.65 Favored 'Trans proline' 0 C--N 1.372 1.807 0 CA-C-N 124.442 2.622 . . . . 0.0 117.642 160.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -47.2 21.11 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.265 18.8 tt -65.59 -37.28 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 167.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.82 -44.95 86.73 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 120.348 1.431 . . . . 0.0 114.488 167.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.3 -26.33 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -70.85 -49.84 41.76 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 120.276 1.398 . . . . 0.0 114.011 170.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.635 0 CA-C-N 120.96 1.709 . . . . 0.0 114.484 169.095 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.66 -15.74 58.98 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.605 0 CA-C-N 121.213 1.824 . . . . 0.0 112.513 173.307 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -96.35 14.99 22.45 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 166.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.607 3.145 0 C-N-CA 125.998 1.719 . . . . 0.0 108.367 149.719 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.533 0 CA-C-N 120.856 1.662 . . . . 0.0 113.254 179.329 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -29.76 23.25 Favored 'Trans proline' 0 C--N 1.373 1.858 0 CA-C-N 124.463 2.63 . . . . 0.0 117.652 161.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -60.56 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 123.884 0.74 . . . . 0.0 112.822 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.339 7.6 tt -67.87 -29.6 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 170.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -59.61 -45.22 92.57 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.406 1.912 . . . . 0.0 114.851 163.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.1 mt -66.46 -24.5 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.734 -1.229 . . . . 0.0 113.125 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -72.88 -46.72 51.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 117.08 -1.438 . . . . 0.0 114.335 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-N 121.435 1.925 . . . . 0.0 114.208 169.118 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.8 mt -81.33 -12.55 58.99 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.534 0 CA-C-N 120.669 1.577 . . . . 0.0 112.342 173.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -96.41 15.19 22.02 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 166.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.024 0 C-N-CA 126.031 1.732 . . . . 0.0 108.604 149.546 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.579 0 CA-C-N 120.946 1.703 . . . . 0.0 113.272 179.486 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.13 -28.64 28.04 Favored 'Trans proline' 0 C--N 1.377 2.047 0 CA-C-N 124.681 2.707 . . . . 0.0 117.629 161.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 m0 -74.52 -45.24 47.09 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.48 -40.92 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.307 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -52.91 -44.04 66.67 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 165.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mt -63.07 -26.81 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 O-C-N 120.876 -1.14 . . . . 0.0 113.42 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.6 m -72.49 -47.94 44.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.649 172.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.459 0 CA-C-N 120.604 1.547 . . . . 0.0 114.533 166.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.25 -13.28 59.34 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.488 0 CA-C-N 120.899 1.681 . . . . 0.0 112.438 174.644 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -95.39 13.21 26.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.026 0 C-N-CA 126.244 1.817 . . . . 0.0 108.087 150.754 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.519 0 CA-C-N 120.737 1.608 . . . . 0.0 113.606 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.47 -28.65 26.39 Favored 'Trans proline' 0 C--N 1.373 1.828 0 CA-C-N 124.402 2.608 . . . . 0.0 117.868 161.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -70.82 -32.64 69.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 3.2 mp -76.74 -46.7 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 120.069 1.304 . . . . 0.0 112.037 177.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.55 -41.74 63.8 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 164.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.6 mm -63.25 -22.31 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.505 -1.372 . . . . 0.0 114.635 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.9 m -72.84 -50.74 22.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.134 1.333 . . . . 0.0 113.587 168.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 2.523 0 CA-C-N 120.669 1.577 . . . . 0.0 114.579 170.371 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -81.68 -13.46 57.85 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.499 0 CA-C-N 121.001 1.728 . . . . 0.0 112.338 172.317 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -95.11 13.68 24.46 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 166.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.042 0 C-N-CA 125.982 1.713 . . . . 0.0 108.663 150.402 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.466 0 CA-C-N 120.924 1.693 . . . . 0.0 113.162 179.162 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.06 -27.34 25.14 Favored 'Trans proline' 0 C--N 1.374 1.872 0 CA-C-N 124.456 2.627 . . . . 0.0 117.685 161.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.266 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -71.14 -44.02 66.39 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.253 10.4 tp -61.81 -37.92 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 165.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.44 -40.97 98.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 173.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mt -64.57 -25.25 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.036 0 O-C-N 120.624 -1.297 . . . . 0.0 113.414 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.6 m -72.66 -45.5 58.62 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 116.914 -1.517 . . . . 0.0 113.968 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.612 0 CA-C-N 121.452 1.933 . . . . 0.0 114.283 168.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.88 -13.48 58.88 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.549 0 CA-C-N 120.806 1.639 . . . . 0.0 112.516 173.465 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.87 12.06 29.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 166.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.022 0 C-N-CA 125.589 1.555 . . . . 0.0 108.683 150.085 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.501 0 CA-C-N 120.96 1.709 . . . . 0.0 113.238 -179.756 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.81 -29.38 28.82 Favored 'Trans proline' 0 C--N 1.373 1.861 0 CA-C-N 124.417 2.613 . . . . 0.0 117.557 161.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -52.12 9.85 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 mt -64.07 -40.65 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 118.256 -0.878 . . . . 0.0 112.831 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -56.66 -40.86 76.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 166.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.33 -27.18 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.534 -1.354 . . . . 0.0 114.228 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.5 m -72.29 -47.63 48.53 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.79 172.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.553 0 CA-C-N 120.747 1.612 . . . . 0.0 114.492 167.651 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.0 mt -75.91 -16.71 59.98 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.594 2.663 0 CA-C-N 120.919 1.69 . . . . 0.0 112.048 173.831 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -96.37 14.35 24.65 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 166.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.604 3.024 0 C-N-CA 125.998 1.719 . . . . 0.0 108.548 149.243 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.548 0 CA-C-N 120.947 1.703 . . . . 0.0 113.188 179.507 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.95 -28.27 24.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 124.466 2.631 . . . . 0.0 117.692 161.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -80.81 -41.59 23.08 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.1 -41.65 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 160.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.95 -44.91 71.09 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 168.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.88 -25.92 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.626 -1.296 . . . . 0.0 114.337 171.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.15 -43.29 53.3 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 116.908 -1.52 . . . . 0.0 113.977 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 CA-C-N 121.561 1.982 . . . . 0.0 114.117 167.035 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.12 -13.87 59.47 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 174.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.54 0 CA-C-N 120.97 1.714 . . . . 0.0 112.675 174.285 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -93.72 12.63 24.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.608 3.198 0 C-N-CA 125.82 1.648 . . . . 0.0 108.081 151.649 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.498 0 CA-C-N 121.06 1.754 . . . . 0.0 113.78 179.317 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.48 -31.05 14.33 Favored 'Trans proline' 0 C--N 1.372 1.781 0 CA-C-N 123.894 2.427 . . . . 0.0 117.618 160.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -73.74 -43.48 59.0 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.9 -36.62 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 164.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -61.68 -42.13 98.5 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 170.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.59 -26.59 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 120.636 -1.29 . . . . 0.0 113.109 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.0 m -68.22 -50.82 51.6 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 120.741 1.61 . . . . 0.0 113.976 169.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.588 0 CA-C-N 120.674 1.579 . . . . 0.0 114.681 170.199 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.95 -13.06 58.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.522 0 CA-C-N 120.779 1.627 . . . . 0.0 112.198 173.656 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -95.97 13.75 25.9 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.554 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.605 3.069 0 C-N-CA 125.887 1.675 . . . . 0.0 108.671 149.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.554 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.468 0 CA-C-N 121.074 1.761 . . . . 0.0 113.316 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.68 -29.87 28.84 Favored 'Trans proline' 0 C--N 1.375 1.965 0 CA-C-N 124.486 2.638 . . . . 0.0 117.484 161.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.269 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -71.6 -24.55 61.91 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.93 -46.14 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 CA-C-N 120.692 1.587 . . . . 0.0 112.014 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -55.13 -40.98 71.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 165.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.46 -26.79 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.562 -1.336 . . . . 0.0 114.322 173.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.8 m -72.52 -45.35 59.77 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.853 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.412 0 CA-C-N 121.42 1.918 . . . . 0.0 114.382 168.612 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.93 -13.69 59.17 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.628 0 CA-C-N 120.799 1.636 . . . . 0.0 112.164 173.083 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -95.26 13.47 25.46 Favored 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 166.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.558 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.603 3.007 0 C-N-CA 125.903 1.681 . . . . 0.0 108.855 150.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.558 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.524 0 CA-C-N 121.197 1.817 . . . . 0.0 113.674 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.25 -32.01 21.6 Favored 'Trans proline' 0 C--N 1.373 1.843 0 CA-C-N 124.619 2.686 . . . . 0.0 117.233 159.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -73.96 -34.8 64.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.263 3.5 mp -74.07 -45.22 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-N 120.436 1.471 . . . . 0.0 112.711 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.74 -42.06 67.73 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 165.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.31 -27.3 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 120.55 -1.344 . . . . 0.0 114.171 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 m -71.65 -49.12 42.88 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.282 -1.342 . . . . 0.0 114.055 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.641 0 CA-C-N 120.891 1.678 . . . . 0.0 114.501 168.724 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -78.07 -14.83 59.35 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.568 0 CA-C-N 120.823 1.647 . . . . 0.0 112.23 172.867 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -96.12 14.9 22.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 166.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.56 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.603 3.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.523 150.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.56 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.502 0 CA-C-N 121.023 1.738 . . . . 0.0 113.448 179.083 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.33 -30.16 24.75 Favored 'Trans proline' 0 C--N 1.376 1.985 0 CA-C-N 124.684 2.709 . . . . 0.0 117.488 160.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.25 -32.56 33.27 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt -68.91 -31.84 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 158.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.0 -42.59 99.32 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.707 1.594 . . . . 0.0 114.155 168.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.304 0.9 OUTLIER -61.25 -25.46 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 174.693 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.6 m -78.37 -50.17 12.24 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 117.472 -1.251 . . . . 0.0 113.361 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.559 0 CA-C-N 120.545 1.52 . . . . 0.0 114.638 170.446 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.0 -12.65 58.21 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.571 0 CA-C-N 121.141 1.791 . . . . 0.0 112.306 170.54 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -95.09 14.54 21.64 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 166.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.552 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.044 0 C-N-CA 125.954 1.702 . . . . 0.0 108.591 150.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.552 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.521 0 CA-C-N 120.879 1.672 . . . . 0.0 113.22 178.916 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 -28.57 26.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 CA-C-N 124.473 2.633 . . . . 0.0 117.752 161.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -73.58 -41.24 63.16 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.15 -31.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.06 169.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.7 -46.52 81.18 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 121.687 2.04 . . . . 0.0 114.719 165.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.279 0.8 OUTLIER -62.01 -23.62 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.095 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.2 m -80.28 -48.46 13.0 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.756 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.469 0 CA-C-N 121.063 1.756 . . . . 0.0 114.544 169.49 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.39 -12.21 56.74 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.624 0 CA-C-N 121.073 1.76 . . . . 0.0 112.203 170.875 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -94.88 12.47 28.07 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 166.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.556 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.605 3.064 0 C-N-CA 125.694 1.598 . . . . 0.0 108.58 150.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.556 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.453 0 CA-C-N 120.992 1.724 . . . . 0.0 113.511 179.34 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 -30.86 15.0 Favored 'Trans proline' 0 C--N 1.372 1.809 0 CA-C-N 124.252 2.554 . . . . 0.0 117.732 160.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -71.56 -42.71 67.5 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.273 2.6 pp -65.6 -37.23 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 169.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.23 -46.27 75.98 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 163.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.5 mt -63.89 -30.68 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.094 0 O-C-N 120.94 -1.1 . . . . 0.0 113.178 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -69.79 -46.44 65.73 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 116.857 -1.544 . . . . 0.0 114.534 172.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.623 0 CA-C-N 121.339 1.881 . . . . 0.0 114.405 166.955 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -76.65 -15.65 59.75 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.611 0 CA-C-N 120.918 1.69 . . . . 0.0 112.362 174.349 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -96.55 14.45 24.67 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 166.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.565 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.605 3.075 0 C-N-CA 125.856 1.663 . . . . 0.0 108.477 149.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.565 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.527 0 CA-C-N 121.107 1.776 . . . . 0.0 113.515 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.8 -28.64 29.93 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 124.671 2.704 . . . . 0.0 117.446 161.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -46.66 27.23 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.2 mp -67.44 -41.47 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 CA-C-O 117.722 -1.132 . . . . 0.0 112.329 173.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.72 -43.71 72.83 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 166.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.91 -23.73 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 170.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.7 m -72.76 -50.95 21.19 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.517 1.508 . . . . 0.0 113.822 169.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.566 0 CA-C-N 121.005 1.73 . . . . 0.0 114.565 169.698 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 mt -81.49 -12.39 58.88 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.497 0 CA-C-N 121.046 1.748 . . . . 0.0 112.348 171.815 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -95.17 14.11 23.18 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 166.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.564 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.605 3.066 0 C-N-CA 126.228 1.811 . . . . 0.0 108.23 151.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.564 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.517 0 CA-C-N 120.725 1.602 . . . . 0.0 113.473 179.174 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.49 -27.92 27.17 Favored 'Trans proline' 0 C--N 1.372 1.786 0 CA-C-N 124.535 2.655 . . . . 0.0 117.67 161.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -70.73 -45.12 65.43 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.316 0.2 OUTLIER -67.81 -35.05 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 171.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -58.55 -44.79 89.78 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 163.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.8 -27.61 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 O-C-N 120.607 -1.308 . . . . 0.0 114.015 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.2 m -71.43 -48.95 46.3 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 117.269 -1.348 . . . . 0.0 114.288 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.59 0 CA-C-N 121.249 1.841 . . . . 0.0 114.172 170.433 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.89 -14.82 59.01 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.625 0 CA-C-N 121.231 1.832 . . . . 0.0 112.204 173.153 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -95.36 14.83 21.17 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.562 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.606 3.101 0 C-N-CA 126.151 1.78 . . . . 0.0 108.102 150.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.562 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.532 0 CA-C-N 120.856 1.662 . . . . 0.0 113.035 179.163 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.43 -27.12 28.43 Favored 'Trans proline' 0 C--N 1.373 1.868 0 CA-C-N 124.53 2.653 . . . . 0.0 117.959 162.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.14 -44.24 48.02 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 123.921 0.763 . . . . 0.0 112.906 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 tt -71.79 -25.74 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.07 -42.7 96.9 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 120.775 1.625 . . . . 0.0 114.256 165.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.279 0.7 OUTLIER -63.11 -25.17 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.219 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -80.18 -44.85 19.11 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 116.84 -1.553 . . . . 0.0 113.465 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.455 0 CA-C-N 121.464 1.938 . . . . 0.0 114.117 169.468 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.55 -13.19 59.71 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.676 0 CA-C-N 121.075 1.761 . . . . 0.0 112.188 171.606 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -95.78 14.37 23.48 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 167.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.556 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.035 0 C-N-CA 125.953 1.701 . . . . 0.0 109.007 149.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.556 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.506 0 CA-C-N 121.302 1.864 . . . . 0.0 113.201 179.744 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.81 -29.87 22.96 Favored 'Trans proline' 0 C--N 1.375 1.957 0 CA-C-N 124.445 2.623 . . . . 0.0 117.532 161.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -71.13 -55.4 8.26 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.442 ' H ' HD12 ' A' ' 2' ' ' ILE 0.253 2.9 mp -65.2 -36.06 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 CA-C-N 119.569 1.077 . . . . 0.0 112.939 177.431 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -57.1 -43.87 82.68 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 164.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.67 -29.04 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.626 -1.296 . . . . 0.0 113.976 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.8 m -70.09 -46.6 64.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.174 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.571 0 CA-C-N 121.118 1.781 . . . . 0.0 114.302 168.09 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.12 -16.57 60.53 Favored 'General case' 0 CA--C 1.566 1.558 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.614 0 CA-C-N 120.821 1.646 . . . . 0.0 112.201 173.867 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -95.84 14.33 23.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 165.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.568 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.043 0 C-N-CA 125.925 1.69 . . . . 0.0 108.547 149.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.568 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.487 0 CA-C-N 120.859 1.663 . . . . 0.0 113.243 179.21 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.36 -27.5 23.54 Favored 'Trans proline' 0 C--N 1.376 2.002 0 CA-C-N 124.479 2.635 . . . . 0.0 117.688 161.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -69.11 -53.31 20.92 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.83 -39.09 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.45 -40.03 85.5 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 170.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -66.21 -22.87 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 O-C-N 120.482 -1.386 . . . . 0.0 113.575 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.3 m -72.72 -48.8 35.68 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.242 170.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.617 0 CA-C-N 120.882 1.673 . . . . 0.0 114.68 166.928 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 mt -77.9 -15.91 58.65 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.6 0 CA-C-N 120.909 1.686 . . . . 0.0 112.504 174.533 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -96.85 15.26 22.61 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 166.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.579 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.603 2.997 0 C-N-CA 126.005 1.722 . . . . 0.0 108.093 149.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.579 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.52 0 CA-C-N 120.948 1.704 . . . . 0.0 113.359 179.22 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.52 -28.8 25.95 Favored 'Trans proline' 0 C--N 1.375 1.951 0 CA-C-N 124.603 2.68 . . . . 0.0 117.694 161.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -71.84 -46.94 56.32 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.656 0.597 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.29 9.9 tp -62.83 -33.09 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 169.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.03 -43.56 98.57 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mm -65.58 -25.0 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.0 0 O-C-N 120.389 -1.444 . . . . 0.0 114.13 172.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.4 m -69.35 -49.29 56.93 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 120.223 1.374 . . . . 0.0 113.929 168.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.648 0 CA-C-N 121.035 1.743 . . . . 0.0 114.625 169.291 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.63 -14.33 58.26 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.539 0 CA-C-N 120.822 1.646 . . . . 0.0 112.428 173.777 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -96.17 14.86 22.57 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.562 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.039 0 C-N-CA 125.964 1.706 . . . . 0.0 108.485 149.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.562 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.515 0 CA-C-N 120.965 1.711 . . . . 0.0 113.117 179.257 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.61 -28.41 25.99 Favored 'Trans proline' 0 C--N 1.375 1.936 0 CA-C-N 124.52 2.65 . . . . 0.0 117.704 161.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -77.1 -54.3 6.69 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 123.815 0.697 . . . . 0.0 111.917 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.83 -25.31 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 166.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -60.49 -48.13 83.13 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.631 1.559 . . . . 0.0 113.81 166.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.283 0.7 OUTLIER -62.89 -27.6 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 171.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.9 m -76.84 -49.66 15.25 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.467 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.559 0 CA-C-N 121.125 1.784 . . . . 0.0 114.403 170.736 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.64 -11.35 57.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.488 0 CA-C-N 120.704 1.593 . . . . 0.0 111.813 171.54 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -95.87 13.56 26.35 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.864 1.801 . . . . 0.0 115.864 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.567 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.607 3.161 0 C-N-CA 126.017 1.727 . . . . 0.0 108.01 149.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.567 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.379 0 CA-C-N 120.916 1.689 . . . . 0.0 113.548 179.67 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.67 -32.11 24.65 Favored 'Trans proline' 0 C--N 1.372 1.807 0 CA-C-N 124.442 2.622 . . . . 0.0 117.642 160.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -47.2 21.11 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.265 18.8 tt -65.59 -37.28 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 167.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.82 -44.95 86.73 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 120.348 1.431 . . . . 0.0 114.488 167.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.3 -26.33 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -70.85 -49.84 41.76 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 120.276 1.398 . . . . 0.0 114.011 170.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.635 0 CA-C-N 120.96 1.709 . . . . 0.0 114.484 169.095 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.66 -15.74 58.98 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.605 0 CA-C-N 121.213 1.824 . . . . 0.0 112.513 173.307 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -96.35 14.99 22.45 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 166.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.566 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.607 3.145 0 C-N-CA 125.998 1.719 . . . . 0.0 108.367 149.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.566 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.533 0 CA-C-N 120.856 1.662 . . . . 0.0 113.254 179.329 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -29.76 23.25 Favored 'Trans proline' 0 C--N 1.373 1.858 0 CA-C-N 124.463 2.63 . . . . 0.0 117.652 161.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -60.56 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 123.884 0.74 . . . . 0.0 112.822 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.339 7.6 tt -67.87 -29.6 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 170.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -59.61 -45.22 92.57 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.406 1.912 . . . . 0.0 114.851 163.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.1 mt -66.46 -24.5 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.734 -1.229 . . . . 0.0 113.125 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -72.88 -46.72 51.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 117.08 -1.438 . . . . 0.0 114.335 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-N 121.435 1.925 . . . . 0.0 114.208 169.118 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.8 mt -81.33 -12.55 58.99 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.534 0 CA-C-N 120.669 1.577 . . . . 0.0 112.342 173.913 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -96.41 15.19 22.02 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 166.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.555 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.024 0 C-N-CA 126.031 1.732 . . . . 0.0 108.604 149.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.555 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.579 0 CA-C-N 120.946 1.703 . . . . 0.0 113.272 179.486 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.13 -28.64 28.04 Favored 'Trans proline' 0 C--N 1.377 2.047 0 CA-C-N 124.681 2.707 . . . . 0.0 117.629 161.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 m0 -74.52 -45.24 47.09 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.48 -40.92 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.307 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -52.91 -44.04 66.67 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 165.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mt -63.07 -26.81 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 O-C-N 120.876 -1.14 . . . . 0.0 113.42 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.6 m -72.49 -47.94 44.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.649 172.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.459 0 CA-C-N 120.604 1.547 . . . . 0.0 114.533 166.882 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.25 -13.28 59.34 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.488 0 CA-C-N 120.899 1.681 . . . . 0.0 112.438 174.644 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -95.39 13.21 26.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.569 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.026 0 C-N-CA 126.244 1.817 . . . . 0.0 108.087 150.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.569 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.519 0 CA-C-N 120.737 1.608 . . . . 0.0 113.606 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.47 -28.65 26.39 Favored 'Trans proline' 0 C--N 1.373 1.828 0 CA-C-N 124.402 2.608 . . . . 0.0 117.868 161.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -70.82 -32.64 69.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 3.2 mp -76.74 -46.7 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 120.069 1.304 . . . . 0.0 112.037 177.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.55 -41.74 63.8 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 164.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.6 mm -63.25 -22.31 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.505 -1.372 . . . . 0.0 114.635 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.9 m -72.84 -50.74 22.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.134 1.333 . . . . 0.0 113.587 168.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 2.523 0 CA-C-N 120.669 1.577 . . . . 0.0 114.579 170.371 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -81.68 -13.46 57.85 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.499 0 CA-C-N 121.001 1.728 . . . . 0.0 112.338 172.317 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -95.11 13.68 24.46 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 166.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.557 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.042 0 C-N-CA 125.982 1.713 . . . . 0.0 108.663 150.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.557 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.466 0 CA-C-N 120.924 1.693 . . . . 0.0 113.162 179.162 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.06 -27.34 25.14 Favored 'Trans proline' 0 C--N 1.374 1.872 0 CA-C-N 124.456 2.627 . . . . 0.0 117.685 161.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.266 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -71.14 -44.02 66.39 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.253 10.4 tp -61.81 -37.92 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 165.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.44 -40.97 98.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 173.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mt -64.57 -25.25 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.036 0 O-C-N 120.624 -1.297 . . . . 0.0 113.414 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.6 m -72.66 -45.5 58.62 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 116.914 -1.517 . . . . 0.0 113.968 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.612 0 CA-C-N 121.452 1.933 . . . . 0.0 114.283 168.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.88 -13.48 58.88 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.549 0 CA-C-N 120.806 1.639 . . . . 0.0 112.516 173.465 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.87 12.06 29.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 166.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.553 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.022 0 C-N-CA 125.589 1.555 . . . . 0.0 108.683 150.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.553 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.501 0 CA-C-N 120.96 1.709 . . . . 0.0 113.238 -179.756 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.81 -29.38 28.82 Favored 'Trans proline' 0 C--N 1.373 1.861 0 CA-C-N 124.417 2.613 . . . . 0.0 117.557 161.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -52.12 9.85 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 mt -64.07 -40.65 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 118.256 -0.878 . . . . 0.0 112.831 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -56.66 -40.86 76.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 166.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.33 -27.18 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.534 -1.354 . . . . 0.0 114.228 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.5 m -72.29 -47.63 48.53 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.79 172.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.553 0 CA-C-N 120.747 1.612 . . . . 0.0 114.492 167.651 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.0 mt -75.91 -16.71 59.98 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.594 2.663 0 CA-C-N 120.919 1.69 . . . . 0.0 112.048 173.831 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -96.37 14.35 24.65 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 166.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.567 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.024 0 C-N-CA 125.998 1.719 . . . . 0.0 108.548 149.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.567 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.548 0 CA-C-N 120.947 1.703 . . . . 0.0 113.188 179.507 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.95 -28.27 24.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 124.466 2.631 . . . . 0.0 117.692 161.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -80.81 -41.59 23.08 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.1 -41.65 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 160.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.95 -44.91 71.09 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 168.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.88 -25.92 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.626 -1.296 . . . . 0.0 114.337 171.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.15 -43.29 53.3 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 116.908 -1.52 . . . . 0.0 113.977 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 CA-C-N 121.561 1.982 . . . . 0.0 114.117 167.035 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.12 -13.87 59.47 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 174.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.54 0 CA-C-N 120.97 1.714 . . . . 0.0 112.675 174.285 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -93.72 12.63 24.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' AIB . . . . . 0.583 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.608 3.198 0 C-N-CA 125.82 1.648 . . . . 0.0 108.081 151.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HYP . . . . . 0.583 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.498 0 CA-C-N 121.06 1.754 . . . . 0.0 113.78 179.317 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.48 -31.05 14.33 Favored 'Trans proline' 0 C--N 1.372 1.781 0 CA-C-N 123.894 2.427 . . . . 0.0 117.618 160.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -73.74 -43.48 59.0 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 113.476 0.917 . . . . 0.0 113.476 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 pt -62.9 -36.62 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 164.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -61.68 -42.13 98.5 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 170.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.2 mt -65.59 -26.59 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 120.636 -1.29 . . . . 0.0 113.109 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.0 m -68.22 -50.82 51.6 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 120.741 1.61 . . . . 0.0 113.976 169.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.588 0 CA-C-N 120.674 1.579 . . . . 0.0 114.681 170.199 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.5 mt -81.95 -13.06 58.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.522 0 CA-C-N 120.779 1.627 . . . . 0.0 112.198 173.656 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -95.97 13.75 25.9 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.554 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.605 3.069 0 C-N-CA 125.887 1.675 . . . . 0.0 108.671 149.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.554 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.468 0 CA-C-N 121.074 1.761 . . . . 0.0 113.316 179.826 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -68.68 -29.87 28.84 Favored 'Trans proline' 0 C--N 1.375 1.965 0 CA-C-N 124.486 2.638 . . . . 0.0 117.484 161.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.269 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -71.6 -24.55 61.91 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.93 -46.14 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 CA-C-N 120.692 1.587 . . . . 0.0 112.014 173.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -55.13 -40.98 71.15 Favored 'General case' 0 N--CA 1.493 1.706 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 165.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.46 -26.79 41.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.562 -1.336 . . . . 0.0 114.322 173.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.8 m -72.52 -45.35 59.77 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 117.006 -1.473 . . . . 0.0 113.853 171.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.412 0 CA-C-N 121.42 1.918 . . . . 0.0 114.382 168.612 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.3 mt -79.93 -13.69 59.17 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 174.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.628 0 CA-C-N 120.799 1.636 . . . . 0.0 112.164 173.083 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -95.26 13.47 25.46 Favored 'General case' 0 CA--C 1.563 1.456 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 166.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.558 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.603 3.007 0 C-N-CA 125.903 1.681 . . . . 0.0 108.855 150.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.558 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.524 0 CA-C-N 121.197 1.817 . . . . 0.0 113.674 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -69.25 -32.01 21.6 Favored 'Trans proline' 0 C--N 1.373 1.843 0 CA-C-N 124.619 2.686 . . . . 0.0 117.233 159.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -73.96 -34.8 64.4 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.263 3.5 mp -74.07 -45.22 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-N 120.436 1.471 . . . . 0.0 112.711 175.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.74 -42.06 67.73 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 165.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.31 -27.3 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 O-C-N 120.55 -1.344 . . . . 0.0 114.171 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 m -71.65 -49.12 42.88 Favored 'General case' 0 N--CA 1.49 1.563 0 CA-C-O 117.282 -1.342 . . . . 0.0 114.055 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.641 0 CA-C-N 120.891 1.678 . . . . 0.0 114.501 168.724 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -78.07 -14.83 59.35 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.568 0 CA-C-N 120.823 1.647 . . . . 0.0 112.23 172.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -96.12 14.9 22.34 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 166.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.56 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.603 3.007 0 C-N-CA 126.018 1.727 . . . . 0.0 108.523 150.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.56 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.502 0 CA-C-N 121.023 1.738 . . . . 0.0 113.448 179.083 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.33 -30.16 24.75 Favored 'Trans proline' 0 C--N 1.376 1.985 0 CA-C-N 124.684 2.709 . . . . 0.0 117.488 160.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.253 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.25 -32.56 33.27 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt -68.91 -31.84 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 158.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.0 -42.59 99.32 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-N 120.707 1.594 . . . . 0.0 114.155 168.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.304 0.9 OUTLIER -61.25 -25.46 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 174.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.6 m -78.37 -50.17 12.24 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 117.472 -1.251 . . . . 0.0 113.361 173.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.559 0 CA-C-N 120.545 1.52 . . . . 0.0 114.638 170.446 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 mt -82.0 -12.65 58.21 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 116.048 1.869 . . . . 0.0 116.048 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.571 0 CA-C-N 121.141 1.791 . . . . 0.0 112.306 170.54 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -95.09 14.54 21.64 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 166.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.552 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.044 0 C-N-CA 125.954 1.702 . . . . 0.0 108.591 150.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.552 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.521 0 CA-C-N 120.879 1.672 . . . . 0.0 113.22 178.916 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 -28.57 26.25 Favored 'Trans proline' 0 C--N 1.374 1.91 0 CA-C-N 124.473 2.633 . . . . 0.0 117.752 161.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -73.58 -41.24 63.16 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.15 -31.41 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.06 169.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.7 -46.52 81.18 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 121.687 2.04 . . . . 0.0 114.719 165.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.279 0.8 OUTLIER -62.01 -23.62 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 173.095 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.2 m -80.28 -48.46 13.0 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 116.982 -1.485 . . . . 0.0 112.756 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.469 0 CA-C-N 121.063 1.756 . . . . 0.0 114.544 169.49 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -83.39 -12.21 56.74 Favored 'General case' 0 CA--C 1.565 1.556 0 N-CA-C 115.865 1.802 . . . . 0.0 115.865 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.624 0 CA-C-N 121.073 1.76 . . . . 0.0 112.203 170.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -94.88 12.47 28.07 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 115.67 1.729 . . . . 0.0 115.67 166.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.556 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.605 3.064 0 C-N-CA 125.694 1.598 . . . . 0.0 108.58 150.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.556 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.453 0 CA-C-N 120.992 1.724 . . . . 0.0 113.511 179.34 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.33 -30.86 15.0 Favored 'Trans proline' 0 C--N 1.372 1.809 0 CA-C-N 124.252 2.554 . . . . 0.0 117.732 160.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -71.56 -42.71 67.5 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.273 2.6 pp -65.6 -37.23 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 169.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -55.23 -46.27 75.98 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 163.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.5 mt -63.89 -30.68 50.63 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.094 0 O-C-N 120.94 -1.1 . . . . 0.0 113.178 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -69.79 -46.44 65.73 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-O 116.857 -1.544 . . . . 0.0 114.534 172.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.623 0 CA-C-N 121.339 1.881 . . . . 0.0 114.405 166.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.6 mt -76.65 -15.65 59.75 Favored 'General case' 0 CA--C 1.568 1.642 0 N-CA-C 116.38 1.992 . . . . 0.0 116.38 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.611 0 CA-C-N 120.918 1.69 . . . . 0.0 112.362 174.349 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -96.55 14.45 24.67 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 166.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.565 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.605 3.075 0 C-N-CA 125.856 1.663 . . . . 0.0 108.477 149.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.565 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.527 0 CA-C-N 121.107 1.776 . . . . 0.0 113.515 179.796 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.8 -28.64 29.93 Favored 'Trans proline' 0 C--N 1.375 1.939 0 CA-C-N 124.671 2.704 . . . . 0.0 117.446 161.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -46.66 27.23 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.2 mp -67.44 -41.47 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.535 0 CA-C-O 117.722 -1.132 . . . . 0.0 112.329 173.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -54.72 -43.71 72.83 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 166.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.91 -23.73 32.26 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 170.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.7 m -72.76 -50.95 21.19 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 120.517 1.508 . . . . 0.0 113.822 169.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.566 0 CA-C-N 121.005 1.73 . . . . 0.0 114.565 169.698 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 mt -81.49 -12.39 58.88 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.497 0 CA-C-N 121.046 1.748 . . . . 0.0 112.348 171.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -95.17 14.11 23.18 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 115.675 1.731 . . . . 0.0 115.675 166.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.564 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.605 3.066 0 C-N-CA 126.228 1.811 . . . . 0.0 108.23 151.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.564 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.517 0 CA-C-N 120.725 1.602 . . . . 0.0 113.473 179.174 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.49 -27.92 27.17 Favored 'Trans proline' 0 C--N 1.372 1.786 0 CA-C-N 124.535 2.655 . . . . 0.0 117.67 161.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -70.73 -45.12 65.43 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.316 0.2 OUTLIER -67.81 -35.05 71.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 171.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -58.55 -44.79 89.78 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 163.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.8 -27.61 43.24 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.035 0 O-C-N 120.607 -1.308 . . . . 0.0 114.015 172.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.2 m -71.43 -48.95 46.3 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 117.269 -1.348 . . . . 0.0 114.288 170.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.59 0 CA-C-N 121.249 1.841 . . . . 0.0 114.172 170.433 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 mt -78.89 -14.82 59.01 Favored 'General case' 0 CA--C 1.568 1.672 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.625 0 CA-C-N 121.231 1.832 . . . . 0.0 112.204 173.153 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -95.36 14.83 21.17 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 115.817 1.784 . . . . 0.0 115.817 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.562 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.606 3.101 0 C-N-CA 126.151 1.78 . . . . 0.0 108.102 150.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.562 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.532 0 CA-C-N 120.856 1.662 . . . . 0.0 113.035 179.163 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.43 -27.12 28.43 Favored 'Trans proline' 0 C--N 1.373 1.868 0 CA-C-N 124.53 2.653 . . . . 0.0 117.959 162.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.14 -44.24 48.02 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 123.921 0.763 . . . . 0.0 112.906 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 tt -71.79 -25.74 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 167.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.07 -42.7 96.9 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 120.775 1.625 . . . . 0.0 114.256 165.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.279 0.7 OUTLIER -63.11 -25.17 37.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.219 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -80.18 -44.85 19.11 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 116.84 -1.553 . . . . 0.0 113.465 173.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.455 0 CA-C-N 121.464 1.938 . . . . 0.0 114.117 169.468 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -79.55 -13.19 59.71 Favored 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.595 2.676 0 CA-C-N 121.075 1.761 . . . . 0.0 112.188 171.606 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -95.78 14.37 23.48 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 167.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.556 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.035 0 C-N-CA 125.953 1.701 . . . . 0.0 109.007 149.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.556 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.506 0 CA-C-N 121.302 1.864 . . . . 0.0 113.201 179.744 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.81 -29.87 22.96 Favored 'Trans proline' 0 C--N 1.375 1.957 0 CA-C-N 124.445 2.623 . . . . 0.0 117.532 161.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -71.13 -55.4 8.26 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.442 ' H ' HD12 ' A' ' 2' ' ' ILE 0.253 2.9 mp -65.2 -36.06 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 CA-C-N 119.569 1.077 . . . . 0.0 112.939 177.431 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -57.1 -43.87 82.68 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 164.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.67 -29.04 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.626 -1.296 . . . . 0.0 113.976 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.8 m -70.09 -46.6 64.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 116.973 -1.489 . . . . 0.0 114.174 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.571 0 CA-C-N 121.118 1.781 . . . . 0.0 114.302 168.09 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.3 mt -75.12 -16.57 60.53 Favored 'General case' 0 CA--C 1.566 1.558 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.614 0 CA-C-N 120.821 1.646 . . . . 0.0 112.201 173.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -95.84 14.33 23.73 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 165.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.568 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.043 0 C-N-CA 125.925 1.69 . . . . 0.0 108.547 149.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.568 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.487 0 CA-C-N 120.859 1.663 . . . . 0.0 113.243 179.21 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.36 -27.5 23.54 Favored 'Trans proline' 0 C--N 1.376 2.002 0 CA-C-N 124.479 2.635 . . . . 0.0 117.688 161.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -69.11 -53.31 20.92 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 mt -64.83 -39.09 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 175.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.45 -40.03 85.5 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 170.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -66.21 -22.87 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.204 0 O-C-N 120.482 -1.386 . . . . 0.0 113.575 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.3 m -72.72 -48.8 35.68 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 117.398 -1.287 . . . . 0.0 113.242 170.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.617 0 CA-C-N 120.882 1.673 . . . . 0.0 114.68 166.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 mt -77.9 -15.91 58.65 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.6 0 CA-C-N 120.909 1.686 . . . . 0.0 112.504 174.533 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -96.85 15.26 22.61 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 166.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.579 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.603 2.997 0 C-N-CA 126.005 1.722 . . . . 0.0 108.093 149.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.579 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.52 0 CA-C-N 120.948 1.704 . . . . 0.0 113.359 179.22 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.52 -28.8 25.95 Favored 'Trans proline' 0 C--N 1.375 1.951 0 CA-C-N 124.603 2.68 . . . . 0.0 117.694 161.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -71.84 -46.94 56.32 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.656 0.597 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.29 9.9 tp -62.83 -33.09 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 169.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -62.03 -43.56 98.57 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 166.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mm -65.58 -25.0 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.0 0 O-C-N 120.389 -1.444 . . . . 0.0 114.13 172.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.4 m -69.35 -49.29 56.93 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 120.223 1.374 . . . . 0.0 113.929 168.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.648 0 CA-C-N 121.035 1.743 . . . . 0.0 114.625 169.291 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.63 -14.33 58.26 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.539 0 CA-C-N 120.822 1.646 . . . . 0.0 112.428 173.777 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -96.17 14.86 22.57 Favored 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 166.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.562 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.039 0 C-N-CA 125.964 1.706 . . . . 0.0 108.485 149.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.562 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.515 0 CA-C-N 120.965 1.711 . . . . 0.0 113.117 179.257 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -69.61 -28.41 25.99 Favored 'Trans proline' 0 C--N 1.375 1.936 0 CA-C-N 124.52 2.65 . . . . 0.0 117.704 161.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.311 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -77.1 -54.3 6.69 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 123.815 0.697 . . . . 0.0 111.917 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.9 pt -68.83 -25.31 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 166.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -60.49 -48.13 83.13 Favored 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 120.631 1.559 . . . . 0.0 113.81 166.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . 0.283 0.7 OUTLIER -62.89 -27.6 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 171.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.9 m -76.84 -49.66 15.25 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.957 -1.497 . . . . 0.0 113.467 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.559 0 CA-C-N 121.125 1.784 . . . . 0.0 114.403 170.736 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -83.64 -11.35 57.38 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.488 0 CA-C-N 120.704 1.593 . . . . 0.0 111.813 171.54 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -95.87 13.56 26.35 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.864 1.801 . . . . 0.0 115.864 167.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.567 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.607 3.161 0 C-N-CA 126.017 1.727 . . . . 0.0 108.01 149.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.567 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.587 2.379 0 CA-C-N 120.916 1.689 . . . . 0.0 113.548 179.67 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.67 -32.11 24.65 Favored 'Trans proline' 0 C--N 1.372 1.807 0 CA-C-N 124.442 2.622 . . . . 0.0 117.642 160.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -47.2 21.11 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.265 18.8 tt -65.59 -37.28 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 167.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -57.82 -44.95 86.73 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 120.348 1.431 . . . . 0.0 114.488 167.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.3 -26.33 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 172.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -70.85 -49.84 41.76 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 120.276 1.398 . . . . 0.0 114.011 170.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.512 2.635 0 CA-C-N 120.96 1.709 . . . . 0.0 114.484 169.095 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.3 mt -77.66 -15.74 58.98 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.593 2.605 0 CA-C-N 121.213 1.824 . . . . 0.0 112.513 173.307 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -96.35 14.99 22.45 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 166.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.566 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.607 3.145 0 C-N-CA 125.998 1.719 . . . . 0.0 108.367 149.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.566 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.533 0 CA-C-N 120.856 1.662 . . . . 0.0 113.254 179.329 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -29.76 23.25 Favored 'Trans proline' 0 C--N 1.373 1.858 0 CA-C-N 124.463 2.63 . . . . 0.0 117.652 161.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -60.56 2.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 123.884 0.74 . . . . 0.0 112.822 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.339 7.6 tt -67.87 -29.6 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 170.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -59.61 -45.22 92.57 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 121.406 1.912 . . . . 0.0 114.851 163.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.1 mt -66.46 -24.5 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.734 -1.229 . . . . 0.0 113.125 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -72.88 -46.72 51.25 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 117.08 -1.438 . . . . 0.0 114.335 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.677 0 CA-C-N 121.435 1.925 . . . . 0.0 114.208 169.118 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.8 mt -81.33 -12.55 58.99 Favored 'General case' 0 CA--C 1.567 1.621 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.534 0 CA-C-N 120.669 1.577 . . . . 0.0 112.342 173.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -96.41 15.19 22.02 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 166.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.555 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.024 0 C-N-CA 126.031 1.732 . . . . 0.0 108.604 149.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.555 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.592 2.579 0 CA-C-N 120.946 1.703 . . . . 0.0 113.272 179.486 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.13 -28.64 28.04 Favored 'Trans proline' 0 C--N 1.377 2.047 0 CA-C-N 124.681 2.707 . . . . 0.0 117.629 161.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.244 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 5.8 m0 -74.52 -45.24 47.09 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -69.48 -40.92 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.307 173.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -52.91 -44.04 66.67 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 165.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.7 mt -63.07 -26.81 41.85 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 O-C-N 120.876 -1.14 . . . . 0.0 113.42 172.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.6 m -72.49 -47.94 44.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.649 172.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.459 0 CA-C-N 120.604 1.547 . . . . 0.0 114.533 166.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 mt -80.25 -13.28 59.34 Favored 'General case' 0 CA--C 1.567 1.62 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.488 0 CA-C-N 120.899 1.681 . . . . 0.0 112.438 174.644 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -95.39 13.21 26.57 Favored 'General case' 0 CA--C 1.564 1.502 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 166.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.569 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.026 0 C-N-CA 126.244 1.817 . . . . 0.0 108.087 150.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.569 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.519 0 CA-C-N 120.737 1.608 . . . . 0.0 113.606 179.446 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.47 -28.65 26.39 Favored 'Trans proline' 0 C--N 1.373 1.828 0 CA-C-N 124.402 2.608 . . . . 0.0 117.868 161.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -70.82 -32.64 69.77 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 116.581 2.067 . . . . 0.0 116.581 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.257 3.2 mp -76.74 -46.7 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-N 120.069 1.304 . . . . 0.0 112.037 177.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.55 -41.74 63.8 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 164.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.6 mm -63.25 -22.31 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.505 -1.372 . . . . 0.0 114.635 172.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.9 m -72.84 -50.74 22.17 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 120.134 1.333 . . . . 0.0 113.587 168.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 2.523 0 CA-C-N 120.669 1.577 . . . . 0.0 114.579 170.371 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.3 mt -81.68 -13.46 57.85 Favored 'General case' 0 CA--C 1.568 1.635 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.499 0 CA-C-N 121.001 1.728 . . . . 0.0 112.338 172.317 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -95.11 13.68 24.46 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 166.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.557 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.042 0 C-N-CA 125.982 1.713 . . . . 0.0 108.663 150.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.557 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.589 2.466 0 CA-C-N 120.924 1.693 . . . . 0.0 113.162 179.162 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.06 -27.34 25.14 Favored 'Trans proline' 0 C--N 1.374 1.872 0 CA-C-N 124.456 2.627 . . . . 0.0 117.685 161.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.266 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -71.14 -44.02 66.39 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.253 10.4 tp -61.81 -37.92 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 165.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -62.44 -40.97 98.3 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 173.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 26.1 mt -64.57 -25.25 37.44 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.036 0 O-C-N 120.624 -1.297 . . . . 0.0 113.414 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.6 m -72.66 -45.5 58.62 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 116.914 -1.517 . . . . 0.0 113.968 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.612 0 CA-C-N 121.452 1.933 . . . . 0.0 114.283 168.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.88 -13.48 58.88 Favored 'General case' 0 CA--C 1.567 1.634 0 N-CA-C 115.945 1.832 . . . . 0.0 115.945 175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.549 0 CA-C-N 120.806 1.639 . . . . 0.0 112.516 173.465 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -94.87 12.06 29.48 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 166.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.553 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.022 0 C-N-CA 125.589 1.555 . . . . 0.0 108.683 150.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.553 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.501 0 CA-C-N 120.96 1.709 . . . . 0.0 113.238 -179.756 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -68.81 -29.38 28.82 Favored 'Trans proline' 0 C--N 1.373 1.861 0 CA-C-N 124.417 2.613 . . . . 0.0 117.557 161.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -52.12 9.85 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.6 mt -64.07 -40.65 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 118.256 -0.878 . . . . 0.0 112.831 170.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -56.66 -40.86 76.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.075 1.88 . . . . 0.0 116.075 166.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.1 mm -62.33 -27.18 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 120.534 -1.354 . . . . 0.0 114.228 172.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.5 m -72.29 -47.63 48.53 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.79 172.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.553 0 CA-C-N 120.747 1.612 . . . . 0.0 114.492 167.651 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.0 mt -75.91 -16.71 59.98 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 116.107 1.891 . . . . 0.0 116.107 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.594 2.663 0 CA-C-N 120.919 1.69 . . . . 0.0 112.048 173.831 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -96.37 14.35 24.65 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 166.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.567 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.604 3.024 0 C-N-CA 125.998 1.719 . . . . 0.0 108.548 149.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.567 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.548 0 CA-C-N 120.947 1.703 . . . . 0.0 113.188 179.507 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.95 -28.27 24.55 Favored 'Trans proline' 0 C--N 1.375 1.963 0 CA-C-N 124.466 2.631 . . . . 0.0 117.692 161.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.182 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -80.81 -41.59 23.08 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.1 -41.65 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 160.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.95 -44.91 71.09 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 168.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.88 -25.92 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.626 -1.296 . . . . 0.0 114.337 171.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.15 -43.29 53.3 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 116.908 -1.52 . . . . 0.0 113.977 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 CA-C-N 121.561 1.982 . . . . 0.0 114.117 167.035 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.12 -13.87 59.47 Favored 'General case' 0 CA--C 1.567 1.605 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 174.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.54 0 CA-C-N 120.97 1.714 . . . . 0.0 112.675 174.285 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -93.72 12.63 24.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 166.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' AIB . . . . . 0.583 HB13 HD23 ' A' ' 13' ' ' HYP . . . . . . . . 0 CA--C 1.608 3.198 0 C-N-CA 125.82 1.648 . . . . 0.0 108.081 151.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HYP . . . . . 0.583 HD23 HB13 ' A' ' 12' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.59 2.498 0 CA-C-N 121.06 1.754 . . . . 0.0 113.78 179.317 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.48 -31.05 14.33 Favored 'Trans proline' 0 C--N 1.372 1.781 0 CA-C-N 123.894 2.427 . . . . 0.0 117.618 160.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_