data_2m1f_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 2m1f _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.541 -0.224 . . . . 45.130000000000003 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 75.209999999999994 110.868 -179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 54.240000000000002 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 73.310000000000002 110.875 -179.872 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.5 -0.24 . . . . 65.439999999999998 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 75.439999999999998 110.944 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.501 -0.239 . . . . 74.340000000000003 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 75.010000000000005 110.932 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 72.129999999999995 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 72.549999999999997 110.899 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.531 -0.227 . . . . 73.549999999999997 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 75.329999999999998 110.916 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.519 -0.233 . . . . 61.409999999999997 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 75.530000000000001 110.89 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.46 -0.256 . . . . 75.450000000000003 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 73.200000000000003 110.931 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 62.100000000000001 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 74.140000000000001 110.881 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.476 -0.25 . . . . 73.319999999999993 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 73.409999999999997 110.91 -179.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.482 -0.247 . . . . 74.400000000000006 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.851 0.357 . . . . 74.140000000000001 110.901 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.493 -0.243 . . . . 74.310000000000002 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 73.430000000000007 110.909 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.472 -0.251 . . . . 71.140000000000001 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 75.329999999999998 110.93 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 71.409999999999997 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 75.310000000000002 110.887 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.503 -0.239 . . . . 54.340000000000003 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 110.924 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.524 -0.23 . . . . 43.119999999999997 112.524 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.902 0.382 . . . . 75.319999999999993 110.946 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.435 -0.266 . . . . 72.319999999999993 112.435 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 72.109999999999999 110.945 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.47 -0.252 . . . . 75.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.933 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 43.399999999999999 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 72.140000000000001 110.936 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.454 -0.258 . . . . 74.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 73.019999999999996 110.893 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 64.349999999999994 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -64.13 -55.31 22.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 75.030000000000001 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.504 -0.554 . . . . 73.519999999999996 109.504 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.427 -0.582 . . . . 64.439999999999998 109.427 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.475 -0.565 . . . . 71.340000000000003 109.475 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.89 -34.58 45.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.745 . . . . 45.130000000000003 112.541 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.82 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 75.209999999999994 110.868 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.537 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 N-CA-C 109.433 -0.58 . . . . 73.329999999999998 109.433 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.457 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 63.450000000000003 109.483 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.512 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HA ' HB12 ' A' ' 15' ' ' AIB . 62.0 mm-40 -88.35 -16.89 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.885 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.515 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.515 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.483 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 62.420000000000002 109.481 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.23 -10.14 22.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 75.439999999999998 112.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 60.119999999999997 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -64.16 -55.25 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 61.32 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 109.476 -0.564 . . . . 75.120000000000005 109.476 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 74.530000000000001 109.505 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 109.454 -0.573 . . . . 64.319999999999993 109.454 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.96 -34.59 46.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 54.240000000000002 112.47 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.536 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.9 mt -75.34 -25.73 58.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 73.310000000000002 110.875 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.536 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.479 -0.563 . . . . 64.019999999999996 109.479 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.455 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 73.230000000000004 109.456 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.514 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' HA ' HB12 ' A' ' 15' ' ' AIB . 33.2 mm-40 -88.28 -17.0 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 73.030000000000001 110.907 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.512 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.514 HD22 ' C ' ' A' ' 11' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.485 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.129999999999995 109.474 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.27 -9.96 22.14 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 65.129999999999995 112.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 52.350000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -64.13 -55.32 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 75.530000000000001 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 109.51 -0.552 . . . . 74.109999999999999 109.51 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 109.462 -0.57 . . . . 70.310000000000002 109.462 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 109.472 -0.566 . . . . 73.409999999999997 109.472 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.95 -34.61 46.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 65.439999999999998 112.5 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.24 -25.86 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 75.439999999999998 110.944 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.537 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.513 -0.551 . . . . 73.430000000000007 109.513 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.456 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 60.329999999999998 109.438 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.512 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' HB11 ' A' ' 15' ' ' AIB . 47.7 mm-40 -88.28 -16.93 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.099999999999994 110.942 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.515 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.515 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.484 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 64.439999999999998 109.498 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.18 -10.04 22.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 2.282 . . . . 73.25 112.335 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 54.009999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -64.12 -55.3 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 74.209999999999994 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.504 -0.554 . . . . 73.219999999999999 109.504 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.438 -0.579 . . . . 72.519999999999996 109.438 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.46 -0.57 . . . . 75.200000000000003 109.46 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.98 -34.5 46.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 74.340000000000003 112.501 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.536 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.32 -25.8 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 75.010000000000005 110.932 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.536 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.465 -0.568 . . . . 74.310000000000002 109.465 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.456 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 73.450000000000003 109.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.513 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HA ' HB12 ' A' ' 15' ' ' AIB . 68.6 mm-40 -88.36 -16.94 31.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 110.875 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.514 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.514 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.484 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 63.219999999999999 109.488 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.28 -10.04 22.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 65.150000000000006 112.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 70.340000000000003 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -64.11 -55.25 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 74.209999999999994 110.905 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.437 -0.579 . . . . 65.120000000000005 109.437 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 109.443 -0.577 . . . . 70.049999999999997 109.443 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 70.109999999999999 109.482 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.04 -34.5 46.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 72.129999999999995 112.492 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.81 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 72.549999999999997 110.899 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.537 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.458 -0.571 . . . . 74.099999999999994 109.458 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.458 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.636 0.731 . . . . 61.140000000000001 109.503 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.51 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' HA ' HB11 ' A' ' 15' ' ' AIB . 52.1 mm-40 -88.36 -16.91 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.516 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.516 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.481 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.706 . . . . 73.430000000000007 109.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.26 -10.09 22.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 74.439999999999998 112.322 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 72.219999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -64.12 -55.3 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 73.310000000000002 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.446 -0.576 . . . . 72.209999999999994 109.446 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.489 -0.56 . . . . 75.219999999999999 109.489 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 109.484 -0.562 . . . . 72.25 109.484 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.91 -34.59 45.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.757 . . . . 73.549999999999997 112.531 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.32 -25.77 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 75.329999999999998 110.916 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.538 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.489 -0.56 . . . . 74.150000000000006 109.489 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.458 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 73.109999999999999 109.487 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.509 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HA ' HB13 ' A' ' 15' ' ' AIB . 36.5 mm-40 -88.34 -16.92 31.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.25 110.875 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.521 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.521 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.478 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.64 0.733 . . . . 73.209999999999994 109.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.26 -9.99 22.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.709 2.273 . . . . 75.040000000000006 112.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 74.030000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -64.13 -55.3 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 75.329999999999998 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.442 -0.577 . . . . 72.230000000000004 109.442 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.443 -0.577 . . . . 74.420000000000002 109.443 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 N-CA-C 109.46 -0.57 . . . . 72.430000000000007 109.46 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.94 -34.53 46.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 61.409999999999997 112.519 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.9 mt -75.33 -25.84 58.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 75.530000000000001 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.537 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.489 -0.56 . . . . 75.219999999999999 109.489 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.457 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 64.420000000000002 109.481 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.511 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HA ' HB13 ' A' ' 15' ' ' AIB . 15.3 mm-40 -88.35 -16.91 31.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 73.030000000000001 110.922 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.523 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.523 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.482 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 74.340000000000003 109.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 56.1 Cg_endo -74.26 -9.99 22.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.329999999999998 112.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 51.5 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -62.39 -54.77 35.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 73.040000000000006 110.835 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.439 -0.578 . . . . 72.420000000000002 109.439 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.562 . . . . 75.230000000000004 109.484 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.501 -0.555 . . . . 71.129999999999995 109.501 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.05 -34.49 46.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.450000000000003 112.46 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.79 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 73.200000000000003 110.931 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.538 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.46 -0.57 . . . . 75.549999999999997 109.46 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.458 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.581 0.705 . . . . 70.239999999999995 109.437 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.51 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.415 ' HA ' HB11 ' A' ' 15' ' ' AIB . 30.8 mm-40 -88.36 -16.95 31.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 110.897 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.522 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.522 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.48 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 73.040000000000006 109.498 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.29 -10.05 22.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 73.209999999999994 112.307 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 73.420000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -62.36 -54.81 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 75.299999999999997 110.835 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 109.432 -0.581 . . . . 74.010000000000005 109.432 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.48 -0.563 . . . . 74.120000000000005 109.48 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.466 -0.568 . . . . 70.340000000000003 109.466 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.93 -34.56 46.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 62.100000000000001 112.507 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.3 -25.87 58.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 74.140000000000001 110.881 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.537 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 109.46 -0.57 . . . . 74.439999999999998 109.46 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.456 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 64.310000000000002 109.481 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.512 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HA ' HB13 ' A' ' 15' ' ' AIB . 24.4 mm-40 -88.32 -16.95 31.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.514 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.514 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.483 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 74.409999999999997 109.51 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.22 -10.2 22.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 64.340000000000003 112.327 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 74.329999999999998 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.1 -55.3 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 74.140000000000001 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.472 -0.566 . . . . 74.040000000000006 109.472 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.482 -0.562 . . . . 75.510000000000005 109.482 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.507 -0.553 . . . . 65.010000000000005 109.507 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.95 -34.58 46.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 73.319999999999993 112.476 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.9 mt -75.35 -25.75 58.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 73.409999999999997 110.91 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.533 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 109.472 -0.566 . . . . 72.420000000000002 109.472 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.465 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 73.310000000000002 109.475 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.518 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HA ' HB12 ' A' ' 15' ' ' AIB . 67.9 mm-40 -88.5 -16.82 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 74.420000000000002 110.929 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.522 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.522 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.47 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 72.129999999999995 109.484 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 54.0 Cg_exo -45.96 -31.46 8.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 74.439999999999998 112.391 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 71.319999999999993 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.07 -55.3 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 75.409999999999997 110.916 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 N-CA-C 109.488 -0.56 . . . . 73.400000000000006 109.488 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.473 -0.566 . . . . 74.230000000000004 109.473 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.483 -0.562 . . . . 75.310000000000002 109.483 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.95 -34.57 46.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 74.400000000000006 112.482 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.536 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.3 -25.85 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.851 0.357 . . . . 74.140000000000001 110.901 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.536 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 109.441 -0.577 . . . . 71.120000000000005 109.441 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.464 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.707 . . . . 72.319999999999993 109.477 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.514 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.415 ' HA ' HB12 ' A' ' 15' ' ' AIB . 41.0 mm-40 -88.54 -16.81 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 75.140000000000001 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.518 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.518 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.464 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.592 0.71 . . . . 75.340000000000003 109.466 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 54.3 Cg_exo -45.98 -31.58 8.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 71.310000000000002 112.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 55.020000000000003 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -64.09 -55.31 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 74.340000000000003 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.456 -0.572 . . . . 71.219999999999999 109.456 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 109.476 -0.565 . . . . 71.340000000000003 109.476 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.439 -0.578 . . . . 72.519999999999996 109.439 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.91 -34.62 45.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 74.310000000000002 112.493 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.535 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.25 -25.82 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 73.430000000000007 110.909 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.535 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 109.452 -0.573 . . . . 73.209999999999994 109.452 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.467 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 65.549999999999997 109.487 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.516 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HA ' HB11 ' A' ' 15' ' ' AIB . 36.0 mm-40 -88.49 -16.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.209999999999994 110.907 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.522 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.522 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.466 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 75.450000000000003 109.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 54.1 Cg_exo -45.97 -31.5 8.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 65.519999999999996 112.326 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 70.329999999999998 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.07 -55.37 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 75.530000000000001 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.461 -0.57 . . . . 74.109999999999999 109.461 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.503 -0.554 . . . . 74.150000000000006 109.503 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.503 -0.554 . . . . 73.129999999999995 109.503 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.98 -34.51 46.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 71.140000000000001 112.472 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.7 mt -75.32 -25.81 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 75.329999999999998 110.93 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.531 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.491 -0.559 . . . . 74.209999999999994 109.491 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.465 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 70.239999999999995 109.48 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.517 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.419 ' HA ' HB11 ' A' ' 15' ' ' AIB . 39.3 mm-40 -88.5 -16.81 31.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.927 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.523 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.523 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.47 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 63.32 109.45 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 53.9 Cg_exo -45.89 -31.55 8.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 71.299999999999997 112.356 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 64.150000000000006 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -64.12 -55.32 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 71.319999999999993 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 109.483 -0.562 . . . . 75.349999999999994 109.483 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 109.458 -0.571 . . . . 74.409999999999997 109.458 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.468 -0.568 . . . . 73.140000000000001 109.468 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.98 -34.55 46.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 71.409999999999997 112.503 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.9 mt -75.29 -25.83 58.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 75.310000000000002 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.533 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 109.511 -0.552 . . . . 70.030000000000001 109.511 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.465 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 63.299999999999997 109.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.518 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HA ' HB13 ' A' ' 15' ' ' AIB . 26.1 mm-40 -88.52 -16.86 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 75.400000000000006 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.522 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.522 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.47 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 74.120000000000005 109.477 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 54.1 Cg_exo -45.94 -31.52 8.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 71.010000000000005 112.367 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 73.219999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -64.12 -55.26 23.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.120000000000005 110.907 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 109.473 -0.566 . . . . 73.049999999999997 109.473 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.452 -0.573 . . . . 74.420000000000002 109.452 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 109.474 -0.565 . . . . 61.25 109.474 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.95 -34.54 46.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 54.340000000000003 112.503 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.534 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.9 mt -75.31 -25.82 58.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 110.924 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.534 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 109.435 -0.58 . . . . 74.319999999999993 109.435 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.466 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 74.430000000000007 109.43 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.517 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HA ' HB13 ' A' ' 15' ' ' AIB . 26.6 mm-40 -88.54 -16.76 31.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 61.420000000000002 110.896 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.521 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.521 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.468 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 75.310000000000002 109.43 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 54.2 Cg_exo -46.01 -31.51 8.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 73.439999999999998 112.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 63.530000000000001 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -64.14 -55.23 23.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 74.140000000000001 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.469 -0.567 . . . . 72.439999999999998 109.469 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.517 -0.549 . . . . 74.239999999999995 109.517 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.474 -0.565 . . . . 74.239999999999995 109.474 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.91 -34.61 46.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 43.119999999999997 112.524 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.536 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 11.8 mt -75.27 -25.8 58.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.902 0.382 . . . . 75.319999999999993 110.946 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.536 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.256 0 N-CA-C 109.5 -0.556 . . . . 70.25 109.5 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.465 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 74.409999999999997 109.46 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.516 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.415 ' HA ' HB12 ' A' ' 15' ' ' AIB . 27.1 mm-40 -88.44 -16.87 31.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 75.120000000000005 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.52 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.52 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.466 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 74.0 109.466 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 54.2 Cg_exo -45.92 -31.48 8.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 53.340000000000003 112.348 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 50.409999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -64.06 -55.34 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 74.230000000000004 110.87 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.468 -0.567 . . . . 73.340000000000003 109.468 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.47 -0.567 . . . . 74.129999999999995 109.47 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.498 -0.556 . . . . 63.299999999999997 109.498 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.91 -33.57 50.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 72.319999999999993 112.435 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 4.2 mp -76.32 -23.08 54.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 72.109999999999999 110.945 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.537 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.469 -0.567 . . . . 62.409999999999997 109.469 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.463 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 60.530000000000001 109.468 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.512 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HA ' HB12 ' A' ' 15' ' ' AIB . 50.8 mm-40 -88.33 -16.91 31.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.929 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.524 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.524 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.481 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 54.450000000000003 109.484 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.18 -9.95 22.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 72.120000000000005 112.358 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 . . . . . . . . 74.120000000000005 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -64.06 -55.37 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 109.497 -0.557 . . . . 74.040000000000006 109.497 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.431 -0.581 . . . . 72.329999999999998 109.431 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.468 -0.568 . . . . 72.120000000000005 109.468 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.53 50.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 75.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 4.2 mp -76.31 -23.14 54.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.933 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.537 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.515 -0.55 . . . . 72.239999999999995 109.515 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.461 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 73.400000000000006 109.463 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.512 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HA ' HB13 ' A' ' 15' ' ' AIB . 9.6 mm-40 -88.31 -16.87 31.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 75.349999999999994 110.946 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.516 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.516 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.482 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 72.400000000000006 109.485 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.24 -10.02 22.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.252 . . . . 74.140000000000001 112.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 34.310000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -64.1 -55.34 22.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 73.409999999999997 110.855 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 109.463 -0.569 . . . . 71.129999999999995 109.463 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.503 -0.554 . . . . 75.540000000000006 109.503 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.443 -0.577 . . . . 75.209999999999994 109.443 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.87 -33.65 50.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 43.399999999999999 112.495 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 4.2 mp -76.24 -23.14 54.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 72.140000000000001 110.936 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.537 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.447 -0.575 . . . . 63.43 109.447 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.462 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.545 0.688 . . . . 74.420000000000002 109.446 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.512 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.409 ' HA ' HB11 ' A' ' 15' ' ' AIB . 74.7 mm-40 -88.29 -16.99 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 74.510000000000005 110.929 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.523 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.523 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.481 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 64.239999999999995 109.443 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.21 -10.07 22.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 64.109999999999999 112.349 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 65.430000000000007 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.38 -54.77 35.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 71.420000000000002 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 109.512 -0.551 . . . . 74.230000000000004 109.512 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 109.501 -0.555 . . . . 73.329999999999998 109.501 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.409 -0.589 . . . . 74.400000000000006 109.409 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.54 50.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.76 . . . . 74.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' O ' ' CB2' ' A' ' 9' ' ' AIB . 4.2 mp -76.37 -23.08 54.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 73.019999999999996 110.893 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' AIB . . . . . 0.538 ' CB2' ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.496 -0.557 . . . . 75.140000000000001 109.496 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' AIB . . . . . 0.463 ' CB1' HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 74.510000000000005 109.445 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HYP . . . . . 0.512 ' C ' HD22 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' HA ' HB12 ' A' ' 15' ' ' AIB . 12.8 mm-40 -88.34 -16.92 31.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 72.519999999999996 110.89 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' DIV . . . . . 0.523 ' N ' ' CD ' ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . 0.523 ' CD ' ' N ' ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' AIB . . . . . 0.482 ' N ' ' HD2' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 72.510000000000005 109.498 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.19 -10.12 22.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.23 . . . . 75.430000000000007 112.364 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.541 -0.224 . . . . 45.130000000000003 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 45.210000000000001 110.868 -179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 54.240000000000002 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 73.239999999999995 110.875 -179.872 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.5 -0.24 . . . . 32.009999999999998 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 75.439999999999998 110.944 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.501 -0.239 . . . . 74.340000000000003 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 75.010000000000005 110.932 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 65.540000000000006 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 72.549999999999997 110.899 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.531 -0.227 . . . . 64.319999999999993 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 75.329999999999998 110.916 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.519 -0.233 . . . . 33.140000000000001 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 75.530000000000001 110.89 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.46 -0.256 . . . . 75.450000000000003 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 61.310000000000002 110.931 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 62.100000000000001 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 62.43 110.881 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.476 -0.25 . . . . 73.319999999999993 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 72.239999999999995 110.91 -179.905 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.482 -0.247 . . . . 74.400000000000006 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.851 0.357 . . . . 73.409999999999997 110.901 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.493 -0.243 . . . . 74.310000000000002 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 50.439999999999998 110.909 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.472 -0.251 . . . . 64.5 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 75.329999999999998 110.93 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 60.039999999999999 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 75.310000000000002 110.887 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.503 -0.239 . . . . 54.340000000000003 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 63.149999999999999 110.924 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.524 -0.23 . . . . 43.119999999999997 112.524 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.902 0.382 . . . . 75.319999999999993 110.946 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.435 -0.266 . . . . 63.439999999999998 112.435 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 64.349999999999994 110.945 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.47 -0.252 . . . . 75.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.933 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 14.119999999999999 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 72.140000000000001 110.936 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.454 -0.258 . . . . 74.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 73.019999999999996 110.893 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 64.349999999999994 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.487 ' O ' HB13 ' A' ' 5' ' ' AIB . 13.4 t80 -64.13 -55.31 22.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 75.030000000000001 110.848 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.504 -0.554 . . . . 73.519999999999996 109.504 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.427 -0.582 . . . . 63.229999999999997 109.427 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.487 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.475 -0.565 . . . . 55.240000000000002 109.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.435 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.89 -34.58 45.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.745 . . . . 45.130000000000003 112.541 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.82 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 45.210000000000001 110.868 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.713 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 N-CA-C 109.433 -0.58 . . . . 73.329999999999998 109.433 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.986 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 62.210000000000001 109.483 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.986 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.569 ' HB2' HB21 ' A' ' 9' ' ' AIB . 62.0 mm-40 -88.35 -16.89 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.885 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.847 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.847 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.878 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 61.450000000000003 109.481 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.878 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.23 -10.14 22.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 74.109999999999999 112.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 60.119999999999997 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' HB13 ' A' ' 5' ' ' AIB . 20.0 t80 -64.16 -55.25 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 45.210000000000001 110.882 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 109.476 -0.564 . . . . 73.120000000000005 109.476 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 70.349999999999994 109.505 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.488 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 109.454 -0.573 . . . . 52.450000000000003 109.454 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.432 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.96 -34.59 46.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 54.240000000000002 112.47 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.34 -25.73 58.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 73.239999999999995 110.875 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.479 -0.563 . . . . 44.310000000000002 109.479 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.989 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 60.009999999999998 109.456 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.989 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HB2' HB21 ' A' ' 9' ' ' AIB . 33.2 mm-40 -88.28 -17.0 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 73.030000000000001 110.907 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.844 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.844 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.882 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.129999999999995 109.474 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.882 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.27 -9.96 22.14 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 65.129999999999995 112.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 10.32 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 18.0 t80 -64.13 -55.32 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 75.530000000000001 110.854 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 109.51 -0.552 . . . . 54.229999999999997 109.51 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 109.462 -0.57 . . . . 70.310000000000002 109.462 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 109.472 -0.566 . . . . 73.409999999999997 109.472 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.437 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.95 -34.61 46.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 32.009999999999998 112.5 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.24 -25.86 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 75.439999999999998 110.944 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.513 -0.551 . . . . 73.430000000000007 109.513 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.988 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 60.329999999999998 109.438 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.988 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB2' HB21 ' A' ' 9' ' ' AIB . 47.7 mm-40 -88.28 -16.93 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.099999999999994 110.942 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.845 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.845 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.879 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 62.450000000000003 109.498 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.879 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.18 -10.04 22.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 2.282 . . . . 70.239999999999995 112.335 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 54.009999999999998 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' HB13 ' A' ' 5' ' ' AIB . 25.6 t80 -64.12 -55.3 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 74.209999999999994 110.893 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.504 -0.554 . . . . 73.219999999999999 109.504 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.438 -0.579 . . . . 72.519999999999996 109.438 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.488 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.46 -0.57 . . . . 72.430000000000007 109.46 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.436 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.98 -34.5 46.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 74.340000000000003 112.501 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.32 -25.8 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 75.010000000000005 110.932 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.465 -0.568 . . . . 74.310000000000002 109.465 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.988 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 73.450000000000003 109.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.988 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HB2' HB21 ' A' ' 9' ' ' AIB . 68.6 mm-40 -88.36 -16.94 31.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 64.109999999999999 110.875 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.844 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.844 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.882 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 54.299999999999997 109.488 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.882 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.28 -10.04 22.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 65.150000000000006 112.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 43.439999999999998 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' O ' HB13 ' A' ' 5' ' ' AIB . 27.9 t80 -64.11 -55.25 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 74.209999999999994 110.905 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.437 -0.579 . . . . 65.120000000000005 109.437 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 109.443 -0.577 . . . . 60.130000000000003 109.443 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.486 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 54.030000000000001 109.482 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.436 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -53.04 -34.5 46.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 65.540000000000006 112.492 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.711 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.81 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 72.549999999999997 110.899 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.711 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.458 -0.571 . . . . 72.230000000000004 109.458 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.983 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.636 0.731 . . . . 61.140000000000001 109.503 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.983 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HB2' HB21 ' A' ' 9' ' ' AIB . 52.1 mm-40 -88.36 -16.91 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.150000000000006 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.849 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.849 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.873 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.706 . . . . 62.240000000000002 109.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.873 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.26 -10.09 22.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 74.329999999999998 112.322 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 72.219999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' HB13 ' A' ' 5' ' ' AIB . 29.7 t80 -64.12 -55.3 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 64.420000000000002 110.871 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.446 -0.576 . . . . 54.210000000000001 109.446 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.489 -0.56 . . . . 75.219999999999999 109.489 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.488 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 109.484 -0.562 . . . . 72.25 109.484 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.435 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.91 -34.59 45.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.757 . . . . 64.319999999999993 112.531 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.708 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.32 -25.77 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 75.329999999999998 110.916 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.708 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.489 -0.56 . . . . 61.299999999999997 109.489 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.975 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 73.109999999999999 109.487 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.975 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.567 ' HB2' HB21 ' A' ' 9' ' ' AIB . 36.5 mm-40 -88.34 -16.92 31.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.25 110.875 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.856 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.856 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.869 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.64 0.733 . . . . 73.209999999999994 109.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.869 ' HD3' HB13 ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.26 -9.99 22.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.709 2.273 . . . . 75.040000000000006 112.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 70.409999999999997 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 13.4 t80 -64.13 -55.3 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 73.400000000000006 110.875 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.442 -0.577 . . . . 72.230000000000004 109.442 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.443 -0.577 . . . . 70.0 109.443 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.319 0 N-CA-C 109.46 -0.57 . . . . 72.349999999999994 109.46 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.434 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.94 -34.53 46.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 33.140000000000001 112.519 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.33 -25.84 58.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 75.530000000000001 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.489 -0.56 . . . . 75.219999999999999 109.489 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.985 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 60.229999999999997 109.481 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.985 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB2' HB21 ' A' ' 9' ' ' AIB . 15.3 mm-40 -88.35 -16.91 31.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 73.030000000000001 110.922 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.849 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.849 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.877 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 74.109999999999999 109.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.877 ' HD3' HB13 ' A' ' 15' ' ' AIB . 56.1 Cg_endo -74.26 -9.99 22.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.200000000000003 112.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 51.5 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HB13 ' A' ' 5' ' ' AIB . 24.4 t80 -62.39 -54.77 35.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 73.040000000000006 110.835 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.439 -0.578 . . . . 72.420000000000002 109.439 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.562 . . . . 75.230000000000004 109.484 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.489 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.501 -0.555 . . . . 71.129999999999995 109.501 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.436 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -53.05 -34.49 46.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.450000000000003 112.46 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.711 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.79 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 61.310000000000002 110.931 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.711 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.46 -0.57 . . . . 75.549999999999997 109.46 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.981 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.581 0.705 . . . . 70.239999999999995 109.437 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.981 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB2' HB21 ' A' ' 9' ' ' AIB . 30.8 mm-40 -88.36 -16.95 31.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 63.109999999999999 110.897 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.85 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.85 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.873 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 73.040000000000006 109.498 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.873 ' HD3' HB13 ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.29 -10.05 22.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 55.439999999999998 112.307 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 73.420000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' HB13 ' A' ' 5' ' ' AIB . 27.0 t80 -62.36 -54.81 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 75.299999999999997 110.835 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 109.432 -0.581 . . . . 74.010000000000005 109.432 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.48 -0.563 . . . . 74.120000000000005 109.48 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.488 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.466 -0.568 . . . . 70.340000000000003 109.466 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.436 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.93 -34.56 46.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 62.100000000000001 112.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.3 -25.87 58.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 62.43 110.881 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 109.46 -0.57 . . . . 71.219999999999999 109.46 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.985 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 60.140000000000001 109.481 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.985 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB2' HB21 ' A' ' 9' ' ' AIB . 24.4 mm-40 -88.32 -16.95 31.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 63.530000000000001 110.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.845 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.845 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.878 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 74.409999999999997 109.51 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.878 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.22 -10.2 22.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 64.319999999999993 112.327 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 74.329999999999998 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HB13 ' A' ' 5' ' ' AIB . 12.9 t80 -64.1 -55.3 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 74.140000000000001 110.888 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.472 -0.566 . . . . 61.140000000000001 109.472 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.482 -0.562 . . . . 61.409999999999997 109.482 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.489 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.507 -0.553 . . . . 65.010000000000005 109.507 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.433 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.95 -34.58 46.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 73.319999999999993 112.476 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.35 -25.75 58.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 72.239999999999995 110.91 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 109.472 -0.566 . . . . 70.319999999999993 109.472 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.993 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 65.25 109.475 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.993 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.56 ' HB2' HB21 ' A' ' 9' ' ' AIB . 67.9 mm-40 -88.5 -16.82 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 45.520000000000003 110.929 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.835 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.835 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.918 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 71.430000000000007 109.484 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.918 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.0 Cg_exo -45.96 -31.46 8.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 74.439999999999998 112.391 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 71.319999999999993 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 17.6 t80 -64.07 -55.3 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 64.129999999999995 110.916 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 N-CA-C 109.488 -0.56 . . . . 73.400000000000006 109.488 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.473 -0.566 . . . . 54.43 109.473 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.483 -0.562 . . . . 64.25 109.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.433 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.95 -34.57 46.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 74.400000000000006 112.482 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.711 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.3 -25.85 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.851 0.357 . . . . 73.409999999999997 110.901 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.711 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 109.441 -0.577 . . . . 62.039999999999999 109.441 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.987 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.707 . . . . 63.32 109.477 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.987 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 41.0 mm-40 -88.54 -16.81 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 75.140000000000001 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.848 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.848 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.934 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.592 0.71 . . . . 75.340000000000003 109.466 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.934 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.3 Cg_exo -45.98 -31.58 8.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 63.109999999999999 112.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 25.350000000000001 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 12.8 t80 -64.09 -55.31 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 72.129999999999995 110.897 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.456 -0.572 . . . . 42.409999999999997 109.456 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 109.476 -0.565 . . . . 71.340000000000003 109.476 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.439 -0.578 . . . . 64.420000000000002 109.439 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.434 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.91 -34.62 45.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 74.310000000000002 112.493 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.25 -25.82 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 50.439999999999998 110.909 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.713 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 109.452 -0.573 . . . . 73.209999999999994 109.452 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.989 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 65.549999999999997 109.487 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.989 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 36.0 mm-40 -88.49 -16.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.209999999999994 110.907 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.839 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.839 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.925 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 75.450000000000003 109.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.925 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.1 Cg_exo -45.97 -31.5 8.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 65.519999999999996 112.326 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 13.23 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.49 ' O ' HB13 ' A' ' 5' ' ' AIB . 29.5 t80 -64.07 -55.37 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 75.319999999999993 110.885 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.461 -0.57 . . . . 72.150000000000006 109.461 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.503 -0.554 . . . . 62.340000000000003 109.503 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.49 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.503 -0.554 . . . . 62.210000000000001 109.503 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.434 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.98 -34.51 46.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 64.5 112.472 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.717 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.7 mt -75.32 -25.81 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 75.329999999999998 110.93 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.717 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.491 -0.559 . . . . 71.230000000000004 109.491 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.996 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 25.239999999999998 109.48 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.996 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.562 ' HB2' HB21 ' A' ' 9' ' ' AIB . 39.3 mm-40 -88.5 -16.81 31.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.927 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.83 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.83 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.911 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 63.240000000000002 109.45 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.911 ' HD3' HB13 ' A' ' 15' ' ' AIB . 53.9 Cg_exo -45.89 -31.55 8.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 71.299999999999997 112.356 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 62.520000000000003 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HB13 ' A' ' 5' ' ' AIB . 27.1 t80 -64.12 -55.32 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 55.240000000000002 110.885 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 109.483 -0.562 . . . . 73.120000000000005 109.483 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 109.458 -0.571 . . . . 64.519999999999996 109.458 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.489 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.468 -0.568 . . . . 73.129999999999995 109.468 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.432 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.98 -34.55 46.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 60.039999999999999 112.503 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.717 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.29 -25.83 58.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 75.310000000000002 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.717 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 109.511 -0.552 . . . . 62.539999999999999 109.511 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.995 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 63.299999999999997 109.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.995 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 26.1 mm-40 -88.52 -16.86 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 75.400000000000006 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.834 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.834 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.916 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 74.120000000000005 109.477 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.916 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.1 Cg_exo -45.94 -31.52 8.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 71.010000000000005 112.367 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 73.219999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.487 ' O ' HB13 ' A' ' 5' ' ' AIB . 26.4 t80 -64.12 -55.26 23.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.120000000000005 110.907 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 109.473 -0.566 . . . . 73.049999999999997 109.473 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.452 -0.573 . . . . 71.209999999999994 109.452 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.487 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 109.474 -0.565 . . . . 61.25 109.474 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.43 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.95 -34.54 46.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 54.340000000000003 112.503 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.31 -25.82 58.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 63.149999999999999 110.924 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 109.435 -0.58 . . . . 74.310000000000002 109.435 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.992 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 43.130000000000003 109.43 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.992 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.561 ' HB2' HB21 ' A' ' 9' ' ' AIB . 26.6 mm-40 -88.54 -16.76 31.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 55.25 110.896 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.838 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.838 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.922 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 62.210000000000001 109.43 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.922 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.2 Cg_exo -46.01 -31.51 8.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 73.439999999999998 112.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 52.420000000000002 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.484 ' O ' HB13 ' A' ' 5' ' ' AIB . 26.8 t80 -64.14 -55.23 23.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 74.099999999999994 110.9 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.469 -0.567 . . . . 72.439999999999998 109.469 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.517 -0.549 . . . . 74.239999999999995 109.517 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.484 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.474 -0.565 . . . . 64.439999999999998 109.474 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DIV . . . . . 0.431 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.91 -34.61 46.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 43.119999999999997 112.524 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.27 -25.8 58.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.902 0.382 . . . . 75.319999999999993 110.946 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.256 0 N-CA-C 109.5 -0.556 . . . . 70.25 109.5 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.99 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 54.409999999999997 109.46 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.99 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.562 ' HB2' HB21 ' A' ' 9' ' ' AIB . 27.1 mm-40 -88.44 -16.87 31.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 71.109999999999999 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.843 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.843 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.928 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 71.420000000000002 109.466 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.928 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.2 Cg_exo -45.92 -31.48 8.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 52.229999999999997 112.348 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 50.409999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' O ' HB13 ' A' ' 5' ' ' AIB . 10.1 t80 -64.06 -55.34 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 54.0 110.87 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.468 -0.567 . . . . 73.340000000000003 109.468 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.47 -0.567 . . . . 74.129999999999995 109.47 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.486 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.498 -0.556 . . . . 45.549999999999997 109.498 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.91 -33.57 50.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 63.439999999999998 112.435 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HB22 ' A' ' 9' ' ' AIB . 4.2 mp -76.32 -23.08 54.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 64.349999999999994 110.945 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.713 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.469 -0.567 . . . . 44.329999999999998 109.469 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.976 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 60.530000000000001 109.468 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.976 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 50.8 mm-40 -88.33 -16.91 31.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.929 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.854 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.854 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.88 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 54.140000000000001 109.484 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.88 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.18 -9.95 22.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 70.439999999999998 112.358 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 . . . . . . . . 40.219999999999999 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' O ' HB13 ' A' ' 5' ' ' AIB . 10.9 t80 -64.06 -55.37 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 73.120000000000005 110.881 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 109.497 -0.557 . . . . 74.040000000000006 109.497 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.431 -0.581 . . . . 72.329999999999998 109.431 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.486 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.468 -0.568 . . . . 72.120000000000005 109.468 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.53 50.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 75.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 4.2 mp -76.31 -23.14 54.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 74.200000000000003 110.933 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.515 -0.55 . . . . 62.420000000000002 109.515 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.98 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 65.129999999999995 109.463 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.98 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 9.6 mm-40 -88.31 -16.87 31.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 75.349999999999994 110.946 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.85 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.85 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.881 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 70.329999999999998 109.485 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.881 ' HD3' HB13 ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.24 -10.02 22.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.252 . . . . 71.019999999999996 112.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 34.310000000000002 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' O ' HB13 ' A' ' 5' ' ' AIB . 30.9 t80 -64.1 -55.34 22.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 73.409999999999997 110.855 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 109.463 -0.569 . . . . 71.129999999999995 109.463 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.503 -0.554 . . . . 75.540000000000006 109.503 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.486 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.443 -0.577 . . . . 70.25 109.443 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.87 -33.65 50.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 14.119999999999999 112.495 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HB22 ' A' ' 9' ' ' AIB . 4.2 mp -76.24 -23.14 54.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 72.140000000000001 110.936 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.713 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.447 -0.575 . . . . 62.100000000000001 109.447 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.978 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.545 0.688 . . . . 64.099999999999994 109.446 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.978 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.564 ' HB2' HB21 ' A' ' 9' ' ' AIB . 74.7 mm-40 -88.29 -16.99 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 72.329999999999998 110.929 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.854 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.854 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.879 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 61.240000000000002 109.443 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.879 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.21 -10.07 22.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 60.009999999999998 112.349 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 23.210000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 21.9 t80 -62.38 -54.77 35.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 71.420000000000002 110.896 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 109.512 -0.551 . . . . 74.230000000000004 109.512 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 109.501 -0.555 . . . . 72.439999999999998 109.501 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.409 -0.589 . . . . 62.450000000000003 109.409 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.54 50.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.76 . . . . 74.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 4.2 mp -76.37 -23.08 54.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 73.019999999999996 110.893 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.496 -0.557 . . . . 62.329999999999998 109.496 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' AIB . . . . . 0.978 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 70.099999999999994 109.445 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HYP . . . . . 0.978 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.565 ' HB2' HB21 ' A' ' 9' ' ' AIB . 12.2 mm100 -88.34 -16.92 31.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 54.32 110.89 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' DIV . . . . . 0.853 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HYP . . . . . 0.853 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' AIB . . . . . 0.878 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 72.510000000000005 109.498 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.878 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.19 -10.12 22.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.23 . . . . 75.430000000000007 112.364 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.541 -0.224 . . . . 45.13 112.541 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 45.21 110.868 -179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.47 -0.252 . . . . 54.24 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 73.24 110.875 -179.872 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.5 -0.24 . . . . 32.01 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 75.44 110.944 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.501 -0.239 . . . . 74.34 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 75.01 110.932 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 65.54 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 72.55 110.899 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.531 -0.227 . . . . 64.32 112.531 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 75.33 110.916 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.519 -0.233 . . . . 33.14 112.519 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 75.53 110.89 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.46 -0.256 . . . . 75.45 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 61.31 110.931 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 62.1 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 62.43 110.881 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.476 -0.25 . . . . 73.32 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 72.24 110.91 -179.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.482 -0.247 . . . . 74.4 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.851 0.357 . . . . 73.41 110.901 -179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.493 -0.243 . . . . 74.31 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 50.44 110.909 -179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.472 -0.251 . . . . 64.5 112.472 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 75.33 110.93 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 60.04 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 75.31 110.887 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.503 -0.239 . . . . 54.34 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 63.15 110.924 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.524 -0.23 . . . . 43.12 112.524 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.902 0.382 . . . . 75.32 110.946 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.435 -0.266 . . . . 63.44 112.435 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 64.35 110.945 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.47 -0.252 . . . . 75.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 74.2 110.933 -179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.495 -0.242 . . . . 14.12 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 72.14 110.936 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.454 -0.258 . . . . 74.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 73.02 110.893 -179.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 64.35 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.487 ' O ' HB13 ' A' ' 5' ' ' AIB . 13.4 t80 -64.13 -55.31 22.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 75.03 110.848 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.504 -0.554 . . . . 73.52 109.504 -179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.427 -0.582 . . . . 63.23 109.427 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.487 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.475 -0.565 . . . . 55.24 109.475 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.435 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.89 -34.58 45.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.745 . . . . 45.13 112.541 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.82 58.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 45.21 110.868 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.713 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 N-CA-C 109.433 -0.58 . . . . 73.33 109.433 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.986 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.636 0.732 . . . . 62.21 109.483 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.986 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.569 ' HB2' HB21 ' A' ' 9' ' ' AIB . 62.0 mm-40 -88.35 -16.89 31.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 73.13 110.885 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.847 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.847 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.878 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 61.45 109.481 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.878 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.23 -10.14 22.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.699 2.266 . . . . 74.11 112.3 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 60.12 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' HB13 ' A' ' 5' ' ' AIB . 20.0 t80 -64.16 -55.25 23.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 45.21 110.882 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 109.476 -0.564 . . . . 73.12 109.476 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 109.505 -0.554 . . . . 70.35 109.505 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.488 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 109.454 -0.573 . . . . 52.45 109.454 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.432 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.96 -34.59 46.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 54.24 112.47 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.34 -25.73 58.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 73.24 110.875 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.479 -0.563 . . . . 44.31 109.479 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.989 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 60.01 109.456 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.989 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HB2' HB21 ' A' ' 9' ' ' AIB . 33.2 mm-40 -88.28 -17.0 31.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.907 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.844 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.844 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.882 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.13 109.474 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.882 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.27 -9.96 22.14 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.641 2.227 . . . . 65.13 112.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 10.32 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 18.0 t80 -64.13 -55.32 22.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 75.53 110.854 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 109.51 -0.552 . . . . 54.23 109.51 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 109.462 -0.57 . . . . 70.31 109.462 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 109.472 -0.566 . . . . 73.41 109.472 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.437 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.95 -34.61 46.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 32.01 112.5 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.24 -25.86 58.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 75.44 110.944 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.513 -0.551 . . . . 73.43 109.513 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.988 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.549 0.69 . . . . 60.33 109.438 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.988 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB2' HB21 ' A' ' 9' ' ' AIB . 47.7 mm-40 -88.28 -16.93 31.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.942 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.845 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.845 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.879 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 62.45 109.498 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.879 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.18 -10.04 22.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.723 2.282 . . . . 70.24 112.335 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 54.01 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' HB13 ' A' ' 5' ' ' AIB . 25.6 t80 -64.12 -55.3 22.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 74.21 110.893 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.504 -0.554 . . . . 73.22 109.504 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.438 -0.579 . . . . 72.52 109.438 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.488 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.46 -0.57 . . . . 72.43 109.46 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.436 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.98 -34.5 46.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 74.34 112.501 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.32 -25.8 58.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 75.01 110.932 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.465 -0.568 . . . . 74.31 109.465 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.988 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 73.45 109.503 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.988 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HB2' HB21 ' A' ' 9' ' ' AIB . 68.6 mm-40 -88.36 -16.94 31.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 64.11 110.875 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.844 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.844 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.882 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.737 . . . . 54.3 109.488 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.882 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.28 -10.04 22.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 65.15 112.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 43.44 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' O ' HB13 ' A' ' 5' ' ' AIB . 27.9 t80 -64.11 -55.25 23.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 74.21 110.905 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.437 -0.579 . . . . 65.12 109.437 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 N-CA-C 109.443 -0.577 . . . . 60.13 109.443 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.486 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.482 -0.562 . . . . 54.03 109.482 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.436 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -53.04 -34.5 46.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 65.54 112.492 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.711 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.81 58.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 72.55 110.899 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.711 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.458 -0.571 . . . . 72.23 109.458 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.983 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.636 0.731 . . . . 61.14 109.503 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.983 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.566 ' HB2' HB21 ' A' ' 9' ' ' AIB . 52.1 mm-40 -88.36 -16.91 31.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 73.15 110.939 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.849 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.849 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.873 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.706 . . . . 62.24 109.422 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.873 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.26 -10.09 22.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 74.33 112.322 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 72.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' HB13 ' A' ' 5' ' ' AIB . 29.7 t80 -64.12 -55.3 22.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 64.42 110.871 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 N-CA-C 109.446 -0.576 . . . . 54.21 109.446 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 109.489 -0.56 . . . . 75.22 109.489 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.488 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 109.484 -0.562 . . . . 72.25 109.484 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.435 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.91 -34.59 45.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.757 . . . . 64.32 112.531 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.708 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.32 -25.77 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 75.33 110.916 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.708 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.489 -0.56 . . . . 61.3 109.489 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.975 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 73.11 109.487 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.975 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.567 ' HB2' HB21 ' A' ' 9' ' ' AIB . 36.5 mm-40 -88.34 -16.92 31.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.25 110.875 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.856 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.856 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.869 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.64 0.733 . . . . 73.21 109.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.869 ' HD3' HB13 ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.26 -9.99 22.18 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.709 2.273 . . . . 75.04 112.347 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 70.41 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 13.4 t80 -64.13 -55.3 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 73.4 110.875 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.442 -0.577 . . . . 72.23 109.442 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.443 -0.577 . . . . 70.0 109.443 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.319 0 N-CA-C 109.46 -0.57 . . . . 72.35 109.46 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.434 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.94 -34.53 46.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 33.14 112.519 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.33 -25.84 58.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 75.53 110.89 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.489 -0.56 . . . . 75.22 109.489 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.985 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 60.23 109.481 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.985 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB2' HB21 ' A' ' 9' ' ' AIB . 15.3 mm-40 -88.35 -16.91 31.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 73.03 110.922 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.849 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.849 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.877 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 74.11 109.479 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.877 ' HD3' HB13 ' A' ' 15' ' ' AIB . 56.1 Cg_endo -74.26 -9.99 22.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 74.2 112.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 51.5 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HB13 ' A' ' 5' ' ' AIB . 24.4 t80 -62.39 -54.77 35.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 73.04 110.835 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.439 -0.578 . . . . 72.42 109.439 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.562 . . . . 75.23 109.484 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.489 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.501 -0.555 . . . . 71.13 109.501 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.436 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -53.05 -34.49 46.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.45 112.46 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.711 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.33 -25.79 58.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.866 0.365 . . . . 61.31 110.931 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.711 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.46 -0.57 . . . . 75.55 109.46 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.981 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.581 0.705 . . . . 70.24 109.437 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.981 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB2' HB21 ' A' ' 9' ' ' AIB . 30.8 mm-40 -88.36 -16.95 31.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 63.11 110.897 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.85 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.85 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.873 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 73.04 109.498 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.873 ' HD3' HB13 ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.29 -10.05 22.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 55.44 112.307 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 73.42 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' HB13 ' A' ' 5' ' ' AIB . 27.0 t80 -62.36 -54.81 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 75.3 110.835 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 109.432 -0.581 . . . . 74.01 109.432 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 N-CA-C 109.48 -0.563 . . . . 74.12 109.48 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.488 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.466 -0.568 . . . . 70.34 109.466 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.436 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.93 -34.56 46.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 62.1 112.507 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.3 -25.87 58.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 62.43 110.881 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 109.46 -0.57 . . . . 71.22 109.46 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.985 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 60.14 109.481 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.985 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.568 ' HB2' HB21 ' A' ' 9' ' ' AIB . 24.4 mm-40 -88.32 -16.95 31.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 63.53 110.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.845 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.845 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.878 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 74.41 109.51 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.878 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.22 -10.2 22.38 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.705 2.27 . . . . 64.32 112.327 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 74.33 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HB13 ' A' ' 5' ' ' AIB . 12.9 t80 -64.1 -55.3 23.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 74.14 110.888 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.472 -0.566 . . . . 61.14 109.472 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 109.482 -0.562 . . . . 61.41 109.482 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.489 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 109.507 -0.553 . . . . 65.01 109.507 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.433 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.95 -34.58 46.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 73.32 112.476 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.35 -25.75 58.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 72.24 110.91 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 109.472 -0.566 . . . . 70.32 109.472 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.993 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 65.25 109.475 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.993 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.56 ' HB2' HB21 ' A' ' 9' ' ' AIB . 67.9 mm-40 -88.5 -16.82 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 45.52 110.929 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.835 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.835 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.918 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 71.43 109.484 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.918 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.0 Cg_exo -45.96 -31.46 8.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 74.44 112.391 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 71.32 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 17.6 t80 -64.07 -55.3 23.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 64.13 110.916 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 N-CA-C 109.488 -0.56 . . . . 73.4 109.488 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.473 -0.566 . . . . 54.43 109.473 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.483 -0.562 . . . . 64.25 109.483 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.433 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.95 -34.57 46.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 74.4 112.482 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.711 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.3 -25.85 58.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.851 0.357 . . . . 73.41 110.901 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.711 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 109.441 -0.577 . . . . 62.04 109.441 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.987 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.586 0.707 . . . . 63.32 109.477 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.987 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 41.0 mm-40 -88.54 -16.81 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.848 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.848 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.934 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.592 0.71 . . . . 75.34 109.466 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.934 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.3 Cg_exo -45.98 -31.58 8.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 63.11 112.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 25.35 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 12.8 t80 -64.09 -55.31 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 72.13 110.897 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.456 -0.572 . . . . 42.41 109.456 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 109.476 -0.565 . . . . 71.34 109.476 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.439 -0.578 . . . . 64.42 109.439 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.434 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.91 -34.62 45.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 74.31 112.493 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.25 -25.82 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.33 . . . . 50.44 110.909 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.713 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 109.452 -0.573 . . . . 73.21 109.452 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.989 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 65.55 109.487 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.989 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 36.0 mm-40 -88.49 -16.84 31.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.907 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.839 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.839 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.925 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.598 0.713 . . . . 75.45 109.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.925 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.1 Cg_exo -45.97 -31.5 8.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 65.52 112.326 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 13.23 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.49 ' O ' HB13 ' A' ' 5' ' ' AIB . 29.5 t80 -64.07 -55.37 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.388 . . . . 75.32 110.885 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 N-CA-C 109.461 -0.57 . . . . 72.15 109.461 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 N-CA-C 109.503 -0.554 . . . . 62.34 109.503 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.49 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.281 0 N-CA-C 109.503 -0.554 . . . . 62.21 109.503 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.434 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.98 -34.51 46.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.699 -0.762 . . . . 64.5 112.472 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.717 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.7 mt -75.32 -25.81 58.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 75.33 110.93 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.717 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.491 -0.559 . . . . 71.23 109.491 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.996 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 25.24 109.48 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.996 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.562 ' HB2' HB21 ' A' ' 9' ' ' AIB . 39.3 mm-40 -88.5 -16.81 31.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.927 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.83 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.83 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.911 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 63.24 109.45 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.911 ' HD3' HB13 ' A' ' 15' ' ' AIB . 53.9 Cg_exo -45.89 -31.55 8.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 71.3 112.356 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 62.52 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' O ' HB13 ' A' ' 5' ' ' AIB . 27.1 t80 -64.12 -55.32 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 55.24 110.885 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 109.483 -0.562 . . . . 73.12 109.483 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 109.458 -0.571 . . . . 64.52 109.458 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.489 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.468 -0.568 . . . . 73.13 109.468 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.432 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.98 -34.55 46.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 60.04 112.503 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.717 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.29 -25.83 58.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 75.31 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.717 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 109.511 -0.552 . . . . 62.54 109.511 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.995 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.733 . . . . 63.3 109.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.995 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 26.1 mm-40 -88.52 -16.86 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 75.4 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.834 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.834 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.916 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 74.12 109.477 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.916 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.1 Cg_exo -45.94 -31.52 8.35 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 71.01 112.367 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 73.22 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.487 ' O ' HB13 ' A' ' 5' ' ' AIB . 26.4 t80 -64.12 -55.26 23.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 74.12 110.907 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 N-CA-C 109.473 -0.566 . . . . 73.05 109.473 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.452 -0.573 . . . . 71.21 109.452 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.487 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 109.474 -0.565 . . . . 61.25 109.474 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.43 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.95 -34.54 46.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 54.34 112.503 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.9 mt -75.31 -25.82 58.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 63.15 110.924 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.715 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 109.435 -0.58 . . . . 74.31 109.435 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.992 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 43.13 109.43 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.992 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.561 ' HB2' HB21 ' A' ' 9' ' ' AIB . 26.6 mm-40 -88.54 -16.76 31.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 55.25 110.896 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.838 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.838 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.922 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 62.21 109.43 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.922 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.2 Cg_exo -46.01 -31.51 8.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 73.44 112.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 52.42 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.484 ' O ' HB13 ' A' ' 5' ' ' AIB . 26.8 t80 -64.14 -55.23 23.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 74.1 110.9 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.469 -0.567 . . . . 72.44 109.469 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.517 -0.549 . . . . 74.24 109.517 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.484 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.474 -0.565 . . . . 64.44 109.474 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . 0.431 HB12 HB13 ' A' ' 9' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' HD23 ' A' ' 11' ' ' HYP . . . -52.91 -34.61 46.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 43.12 112.524 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 11.8 mt -75.27 -25.8 58.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.902 0.382 . . . . 75.32 110.946 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.256 0 N-CA-C 109.5 -0.556 . . . . 70.25 109.5 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.99 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 54.41 109.46 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.99 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.562 ' HB2' HB21 ' A' ' 9' ' ' AIB . 27.1 mm-40 -88.44 -16.87 31.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 71.11 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.843 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.843 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.928 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 71.42 109.466 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.928 ' HD3' HB13 ' A' ' 15' ' ' AIB . 54.2 Cg_exo -45.92 -31.48 8.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 52.23 112.348 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 50.41 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' O ' HB13 ' A' ' 5' ' ' AIB . 10.1 t80 -64.06 -55.34 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.361 . . . . 54.0 110.87 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.468 -0.567 . . . . 73.34 109.468 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.47 -0.567 . . . . 74.13 109.47 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.486 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.498 -0.556 . . . . 45.55 109.498 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.91 -33.57 50.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.776 -0.726 . . . . 63.44 112.435 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HB22 ' A' ' 9' ' ' AIB . 4.2 mp -76.32 -23.08 54.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 64.35 110.945 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.713 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.296 0 N-CA-C 109.469 -0.567 . . . . 44.33 109.469 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.976 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.635 0.731 . . . . 60.53 109.468 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.976 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 50.8 mm-40 -88.33 -16.91 31.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.929 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.854 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.854 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.88 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 54.14 109.484 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.88 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.18 -9.95 22.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 70.44 112.358 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 . . . . . . . . 40.22 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' O ' HB13 ' A' ' 5' ' ' AIB . 10.9 t80 -64.06 -55.37 22.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 73.12 110.881 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 109.497 -0.557 . . . . 74.04 109.497 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.431 -0.581 . . . . 72.33 109.431 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.486 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.468 -0.568 . . . . 72.12 109.468 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.53 50.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 75.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 4.2 mp -76.31 -23.14 54.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 74.2 110.933 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.515 -0.55 . . . . 62.42 109.515 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.98 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 65.13 109.463 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.98 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.563 ' HB2' HB21 ' A' ' 9' ' ' AIB . 9.6 mm-40 -88.31 -16.87 31.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 75.35 110.946 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.85 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.85 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.881 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 70.33 109.485 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.881 ' HD3' HB13 ' A' ' 15' ' ' AIB . 56.0 Cg_endo -74.24 -10.02 22.22 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.677 2.252 . . . . 71.02 112.34 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.161 . . . . . . . . 34.31 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' O ' HB13 ' A' ' 5' ' ' AIB . 30.9 t80 -64.1 -55.34 22.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.353 . . . . 73.41 110.855 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 109.463 -0.569 . . . . 71.13 109.463 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.503 -0.554 . . . . 75.54 109.503 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.486 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.443 -0.577 . . . . 70.25 109.443 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.87 -33.65 50.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 14.12 112.495 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.713 ' O ' HB22 ' A' ' 9' ' ' AIB . 4.2 mp -76.24 -23.14 54.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.815 0.34 . . . . 72.14 110.936 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.713 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 N-CA-C 109.447 -0.575 . . . . 62.1 109.447 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.978 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.545 0.688 . . . . 64.1 109.446 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.978 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.564 ' HB2' HB21 ' A' ' 9' ' ' AIB . 74.7 mm-40 -88.29 -16.99 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.929 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.854 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.854 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.879 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 61.24 109.443 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.879 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.8 Cg_endo -74.21 -10.07 22.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.262 . . . . 60.01 112.349 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 23.21 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.485 ' O ' HB13 ' A' ' 5' ' ' AIB . 21.9 t80 -62.38 -54.77 35.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 71.42 110.896 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 109.512 -0.551 . . . . 74.23 109.512 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 109.501 -0.555 . . . . 72.44 109.501 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' AIB . . . . . 0.485 HB13 ' O ' ' A' ' 2' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.409 -0.589 . . . . 62.45 109.409 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.94 -33.54 50.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.76 . . . . 74.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.714 ' O ' HB22 ' A' ' 9' ' ' AIB . 4.2 mp -76.37 -23.08 54.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 73.02 110.893 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' AIB . . . . . 0.714 HB22 ' O ' ' A' ' 8' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.496 -0.557 . . . . 62.33 109.496 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' AIB . . . . . 0.978 HB13 HD23 ' A' ' 11' ' ' HYP . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.703 . . . . 70.1 109.445 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HYP . . . . . 0.978 HD23 HB13 ' A' ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.565 ' HB2' HB21 ' A' ' 9' ' ' AIB . 12.8 mm-40 -88.34 -16.92 31.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 54.32 110.89 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' DIV . . . . . 0.853 HB22 HD23 ' A' ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . 0.853 HD23 HB22 ' A' ' 13' ' ' DIV . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' AIB . . . . . 0.878 HB13 ' HD3' ' A' ' 16' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 72.51 109.498 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.878 ' HD3' HB13 ' A' ' 15' ' ' AIB . 55.9 Cg_endo -74.19 -10.12 22.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.23 . . . . 75.43 112.364 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_