data_3sak_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 3sak _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 ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 108.32 -0.993 . . . . 1.76 108.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -89.47 144.18 26.24 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.494 -0.754 . . . . 0.97999999999999998 109.831 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.3 143.13 49.67 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.742 -0.836 . . . . 0.55000000000000004 108.742 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.54 153.49 17.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.905 -1.146 . . . . 1.0600000000000001 107.905 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -145.62 130.47 18.16 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.218 -0.926 . . . . 1.0900000000000001 109.268 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.22 127.4 33.14 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.357 -0.979 . . . . 1.5 108.357 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.97 119.99 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.623 -0.88 . . . . 1.04 108.623 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.36 148.41 35.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.687 -0.633 . . . . 2.6899999999999999 109.35 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 115.57 0.34 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.5 -1.04 . . . . 0.40000000000000002 110.5 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.3 -39.91 88.65 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.456 -1.026 . . . . 3.3100000000000001 109.116 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.31 -46.47 86.08 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.575 -0.898 . . . . 2.1699999999999999 108.575 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.1 -39.82 87.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.646 -0.659 . . . . 2.4100000000000001 109.251 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.17 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.212 -0.93 . . . . 0.29999999999999999 109.792 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.35 -41.02 88.23 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.053 -1.029 . . . . 1.1699999999999999 108.317 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.51 -50.09 70.98 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.534 -0.729 . . . . 1.3300000000000001 109.741 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.82 -39.96 93.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.425 -0.797 . . . . 1.1699999999999999 109.267 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.06 -43.7 91.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.99 -1.069 . . . . 2.7599999999999998 109.584 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.84 88.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.174 -0.954 . . . . 1.4399999999999999 109.092 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.22 -40.23 95.44 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.357 -0.979 . . . . 1.0900000000000001 108.357 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.58 -56.43 19.97 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.59 0.709 . . . . 1.4099999999999999 109.885 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.5 -39.98 89.7 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.551 -0.718 . . . . 2.1600000000000001 109.388 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.14 81.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.374 -0.829 . . . . 1.05 109.371 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 84.7 mt -64.25 -41.99 96.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 1.0600000000000001 109.572 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.18 -39.78 87.67 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 1.5800000000000001 109.622 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.509 ' CD1' HE22 ' B' ' 36' ' ' GLN . 21.6 tp -60.78 -47.98 83.85 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.259 -0.9 . . . . 1.3400000000000001 109.107 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.57 -40.57 92.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.267 -0.896 . . . . 1.8899999999999999 108.766 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.83 86.5 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.232 0.539 . . . . 1.24 109.65 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.56 95.87 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.528 -0.915 . . . . 1.25 108.528 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.518 HE22 ' CD1' ' B' ' 32' ' ' LEU . 17.1 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 2.29 108.851 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 108.24 -1.022 . . . . 1.75 108.24 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.52 144.17 26.24 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.505 -0.747 . . . . 0.98999999999999999 109.898 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.25 143.09 49.67 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.748 -0.834 . . . . 0.56999999999999995 108.748 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.5 153.44 17.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.951 -1.129 . . . . 1.0800000000000001 107.951 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.6 tp -145.6 130.56 18.26 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.28 127.48 33.25 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.29 -1.004 . . . . 1.47 108.29 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.4 mt -120.09 120.01 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.646 -0.872 . . . . 1.05 108.646 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.39 148.39 35.55 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.43 -0.582 . . . . 2.6899999999999999 109.43 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.94 115.57 0.34 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.45 -1.06 . . . . 0.38 110.45 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.16 -40.06 88.57 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.52 -0.988 . . . . 3.3300000000000001 109.118 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.23 -46.49 85.83 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.576 -0.898 . . . . 2.1400000000000001 108.576 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.09 -39.82 87.48 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.59 -0.693 . . . . 2.3999999999999999 109.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.18 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.28000000000000003 109.806 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.18 -41.07 87.61 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.029 -1.044 . . . . 1.1799999999999999 108.411 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.59 -49.98 71.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.561 -0.712 . . . . 1.3100000000000001 109.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.89 93.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.404 -0.81 . . . . 1.1699999999999999 109.311 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.11 -43.67 91.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.053 -1.03 . . . . 2.7799999999999998 109.597 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.05 -46.87 88.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 1.4399999999999999 109.104 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.25 -40.2 95.4 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.295 -1.002 . . . . 1.0600000000000001 108.295 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.68 -56.34 20.74 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.572 0.701 . . . . 1.3999999999999999 109.91 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.87 89.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.602 -0.686 . . . . 2.1600000000000001 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.12 81.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.354 -0.841 . . . . 1.04 109.352 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' B' ' 34' ' ' ASP . 84.7 mt -64.22 -42.03 96.77 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 1.04 109.475 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -60.13 -40.19 88.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.204 -0.935 . . . . 1.5700000000000001 109.38 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.518 ' CD1' HE22 ' A' ' 36' ' ' GLN . 21.6 tp -60.53 -47.98 83.76 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.247 -0.908 . . . . 1.3700000000000001 109.182 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.66 -40.38 91.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.31 -0.869 . . . . 1.9099999999999999 108.741 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 30' ' ' LEU . 1.1 m-20 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.804 -0.56 . . . . 1.25 109.56 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.55 95.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.255 -0.903 . . . . 1.25 108.711 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.509 HE22 ' CD1' ' A' ' 32' ' ' LEU . 17.0 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.2799999999999998 108.825 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 108.316 -0.994 . . . . 1.77 108.316 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.51 144.15 26.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.452 -0.78 . . . . 0.98999999999999999 109.875 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.31 143.12 49.65 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.708 -0.849 . . . . 0.58999999999999997 108.708 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p -94.42 153.5 17.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.928 -1.138 . . . . 1.0900000000000001 107.928 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.7 130.51 18.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.162 -0.961 . . . . 1.0800000000000001 109.217 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.28 127.41 33.18 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.292 -1.003 . . . . 1.48 108.292 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -119.98 120.11 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.615 -0.884 . . . . 1.05 108.615 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.41 148.35 35.53 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.724 -0.61 . . . . 2.6600000000000001 109.408 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.98 115.57 0.35 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.464 -1.054 . . . . 0.40999999999999998 110.464 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.37 -39.85 88.69 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.461 -1.023 . . . . 3.3300000000000001 109.073 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.53 86.0 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.587 -0.894 . . . . 2.1600000000000001 108.587 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.573 -0.704 . . . . 2.3999999999999999 109.267 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.13 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.28999999999999998 109.794 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.34 -40.96 88.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.048 -1.033 . . . . 1.21 108.305 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 47.0 ttp -63.59 -50.0 71.15 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.547 -0.721 . . . . 1.3200000000000001 109.757 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.94 93.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.362 -0.836 . . . . 1.1799999999999999 109.249 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.05 -43.75 91.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.989 -1.07 . . . . 2.75 109.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 1.46 109.052 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.24 -40.2 95.37 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.297 -1.001 . . . . 1.0800000000000001 108.297 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.65 -56.38 20.39 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.645 0.736 . . . . 1.3899999999999999 109.852 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.66 -39.78 89.66 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.53 -0.731 . . . . 2.1699999999999999 109.422 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.15 81.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.35 -0.844 . . . . 1.05 109.397 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.432 ' O ' ' OD1' ' C' ' 34' ' ' ASP . 84.5 mt -64.39 -41.82 96.45 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.036 -1.04 . . . . 1.0700000000000001 109.505 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.37 -39.82 88.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.252 -0.905 . . . . 1.5600000000000001 109.451 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . 0.487 ' CD1' HE22 ' D' ' 36' ' ' GLN . 21.5 tp -60.75 -47.95 84.0 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 1.3500000000000001 109.115 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.62 -40.45 91.93 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.312 -0.867 . . . . 1.8899999999999999 108.779 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' C' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.91 86.76 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.314 0.578 . . . . 1.24 109.66 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.239 -0.913 . . . . 1.27 108.563 -179.834 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 108.361 -0.977 . . . . 1.8 108.361 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -89.55 144.21 26.2 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.528 -0.732 . . . . 1.0 109.867 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.29 143.12 49.68 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.751 -0.833 . . . . 0.59999999999999998 108.751 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -94.56 153.46 17.87 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.896 -1.149 . . . . 1.0600000000000001 107.896 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.65 130.56 18.2 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.196 -0.94 . . . . 1.1000000000000001 109.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.29 127.51 33.28 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.255 -1.016 . . . . 1.5 108.255 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.04 119.94 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.643 -0.873 . . . . 1.05 108.643 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.35 148.33 35.66 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.766 -0.584 . . . . 2.6800000000000002 109.469 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.04 115.59 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.425 -1.07 . . . . 0.40000000000000002 110.425 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.32 -39.89 88.67 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.511 -0.994 . . . . 3.2999999999999998 109.117 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.43 86.19 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.599 -0.889 . . . . 2.1400000000000001 108.599 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.05 -39.91 87.63 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.627 -0.671 . . . . 2.3900000000000001 109.263 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.14 -48.62 80.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.29999999999999999 109.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.37 -41.01 88.29 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.052 -1.03 . . . . 1.1799999999999999 108.321 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.54 -50.08 70.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.629 -0.669 . . . . 1.3300000000000001 109.75 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.81 -40.02 93.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.401 -0.812 . . . . 1.1699999999999999 109.25 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -58.98 -43.69 91.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.037 . . . . 2.7599999999999998 109.607 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.135 -0.978 . . . . 1.4199999999999999 109.025 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.21 -40.25 95.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.261 -1.014 . . . . 1.0800000000000001 108.261 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.61 -56.38 20.48 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.565 0.698 . . . . 1.4099999999999999 109.902 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.5 -40.02 89.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.611 -0.681 . . . . 2.1699999999999999 109.394 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.13 81.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.336 -0.853 . . . . 1.0600000000000001 109.385 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . 0.433 ' O ' ' OD1' ' D' ' 34' ' ' ASP . 84.8 mt -64.2 -42.11 96.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.011 -1.056 . . . . 1.0700000000000001 109.438 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.005 . . . . 1.5700000000000001 109.546 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.66 -48.02 83.64 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.325 -0.86 . . . . 1.3500000000000001 109.076 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.54 -40.49 91.75 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.249 -0.907 . . . . 1.8999999999999999 108.764 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' D' ' 30' ' ' LEU . 1.1 m-20 -59.81 -40.1 87.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.234 0.54 . . . . 1.26 109.576 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.6 95.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.263 -0.898 . . . . 1.25 108.578 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . 0.487 HE22 ' CD1' ' C' ' 32' ' ' LEU . 17.1 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 2.2799999999999998 108.784 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.362 -0.607 . . . . 1.7 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.14 147.4 33.76 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.593 -0.692 . . . . 1.04 109.421 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -138.1 137.08 37.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.366 -0.834 . . . . 0.65000000000000002 109.701 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.51 155.02 19.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 1.1399999999999999 109.067 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.1 tp -147.04 130.75 16.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.101 -0.999 . . . . 1.0900000000000001 109.247 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -84.01 127.1 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.747 -0.835 . . . . 1.3700000000000001 108.747 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.56 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.275 -0.891 . . . . 1.1499999999999999 109.264 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -77.72 145.28 36.65 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.47 -0.769 . . . . 2.79 110.443 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 117.18 1.05 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.6 -1.0 . . . . 0.45000000000000001 110.6 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -65.33 -42.22 93.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.188 -1.183 . . . . 3.1600000000000001 109.296 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.65 -40.19 91.11 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.808 -1.182 . . . . 2.2200000000000002 107.946 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.471 HH22 ' CG ' ' C' ' 34' ' ' ASP . 38.0 ttm180 -61.85 -38.02 86.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 3.54 108.771 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.44 -45.24 92.15 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.018 -1.051 . . . . 0.5 109.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.56 -40.79 88.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.115 -0.991 . . . . 1.6599999999999999 109.236 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -60.79 -49.66 76.58 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.704 -0.85 . . . . 1.1499999999999999 108.704 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.71 -39.61 92.1 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.611 -0.885 . . . . 0.34000000000000002 108.611 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.81 -46.96 83.94 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.534 -0.913 . . . . 2.9399999999999999 108.534 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.24 -47.19 87.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.487 -0.758 . . . . 1.74 109.153 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.06 -45.55 94.29 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.191 -0.943 . . . . 1.0700000000000001 109.089 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.31 -49.73 76.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.339 -0.851 . . . . 1.22 109.343 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.2 -40.88 95.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 1.72 109.758 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.84 -50.2 74.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.92 . . . . 1.0700000000000001 110.11 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.37 -43.48 98.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.128 -0.983 . . . . 1.0800000000000001 109.474 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -40.78 90.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.071 -1.018 . . . . 1.9099999999999999 109.383 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.128 -1.064 . . . . 1.1499999999999999 108.128 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.72 -40.48 92.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.514 -0.741 . . . . 2.1400000000000001 109.113 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.35 -40.45 90.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.39 -0.819 . . . . 1.4299999999999999 109.666 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.73 68.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.492 -0.755 . . . . 1.3 109.312 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--N 1.303 -1.431 0 O-C-N 121.361 -0.837 . . . . 1.4199999999999999 109.211 179.841 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.247 -0.649 . . . . 1.6100000000000001 109.247 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -110.41 146.16 36.35 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.299 -0.63 . . . . 0.96999999999999997 109.299 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.81 137.93 38.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.39 -0.819 . . . . 0.59999999999999998 109.543 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.5 p -89.38 155.13 19.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 1.1000000000000001 109.069 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.34 130.52 16.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.039 -1.038 . . . . 1.1000000000000001 109.312 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -83.95 126.56 33.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 108.801 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.16 120.16 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 121.491 -0.756 . . . . 1.1699999999999999 109.451 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -78.2 144.25 36.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 2.79 110.466 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.58 115.92 1.14 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.714 -0.955 . . . . 0.47999999999999998 110.714 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' B' ' 17' ' ' ARG . 39.5 ttt-85 -63.51 -42.91 98.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -1.185 . . . . 3.2200000000000002 109.163 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.04 -40.94 91.15 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.794 -1.191 . . . . 2.21 107.964 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.461 HH22 ' CG ' ' D' ' 34' ' ' ASP . 38.6 ttm180 -60.67 -38.79 86.1 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.87 -0.789 . . . . 3.5499999999999998 108.87 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -59.11 -45.39 91.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.397 -0.814 . . . . 0.52000000000000002 110.116 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.91 -40.78 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.017 -1.052 . . . . 1.6799999999999999 109.092 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.1 ttp -60.15 -50.07 75.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.837 -0.801 . . . . 1.1499999999999999 108.837 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.91 -39.49 92.19 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.824 -0.806 . . . . 0.33000000000000002 108.824 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -57.69 -46.92 83.69 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.412 -0.959 . . . . 3.02 108.412 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.89 -46.71 88.45 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.069 -0.715 . . . . 1.75 109.069 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.66 -46.31 90.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.178 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.0 -49.65 76.85 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.195 -0.94 . . . . 1.21 109.285 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.01 -40.33 93.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 1.6899999999999999 109.607 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.65 -50.9 71.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.269 -0.894 . . . . 1.0600000000000001 109.76 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.82 -43.5 98.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.061 -1.024 . . . . 1.0800000000000001 109.62 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -40.26 88.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 1.9299999999999999 109.533 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.41 -47.14 87.39 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.998 -1.112 . . . . 1.1399999999999999 107.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.23 -40.69 91.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.376 -0.828 . . . . 2.1899999999999999 108.952 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -60.05 -40.84 90.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 1.4299999999999999 109.566 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.94 67.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.548 -0.72 . . . . 1.3100000000000001 109.34 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.3999999999999999 109.306 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.412 -0.588 . . . . 2.1099999999999999 109.412 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.98 145.75 37.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 1.01 109.261 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -136.83 136.91 39.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.405 -0.809 . . . . 0.57999999999999996 109.38 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 69.4 p -88.48 154.85 20.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.839 . . . . 1.1599999999999999 108.947 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -147.04 131.15 17.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.267 -0.895 . . . . 1.1699999999999999 109.185 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.46 127.25 33.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.286 -0.884 . . . . 1.8100000000000001 109.06 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.19 120.07 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.34 -0.85 . . . . 1.1299999999999999 109.583 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.59 144.2 35.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.829 . . . . 2.8199999999999998 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.57 116.27 1.16 Allowed Glycine 0 N--CA 1.501 2.97 0 N-CA-C 110.647 -0.981 . . . . 0.45000000000000001 110.647 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' C' ' 17' ' ' ARG . 41.1 ttt-85 -63.65 -42.98 98.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -1.135 . . . . 3.0800000000000001 109.258 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.14 -41.48 92.79 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.707 -1.22 . . . . 2.54 107.707 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -60.01 -38.43 82.61 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.772 -0.825 . . . . 4.1100000000000003 108.772 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.74 -45.36 92.44 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.327 -0.858 . . . . 0.56999999999999995 110.41 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.55 89.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.051 -1.031 . . . . 1.6599999999999999 109.145 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.68 -49.98 75.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.737 -0.838 . . . . 1.29 108.737 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.36 -39.91 92.34 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.86 -0.793 . . . . 0.40000000000000002 108.86 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.27 -47.71 80.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.519 -0.919 . . . . 3.8500000000000001 108.519 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -47.36 86.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 1.78 109.264 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.68 -46.54 89.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 1.1699999999999999 109.143 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.509 -0.744 . . . . 1.2 109.279 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.42 -41.36 93.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.912 . . . . 2.1200000000000001 109.718 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.29 -50.15 74.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.33 -0.857 . . . . 1.0700000000000001 109.955 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.15 -43.36 99.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.012 . . . . 1.1399999999999999 109.34 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -40.96 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.036 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.87 -46.75 88.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.942 -1.099 . . . . 1.3799999999999999 108.376 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.45 -40.57 91.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.444 -0.785 . . . . 2.6800000000000002 109.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.471 ' CG ' HH22 ' A' ' 19' ' ' ARG . 81.7 m-20 -59.99 -41.21 91.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 1.3400000000000001 109.246 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 O-C-N 121.417 -0.802 . . . . 1.3 109.496 -179.759 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.226 0.536 . . . . 1.6699999999999999 109.577 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.47 146.73 35.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.578 -0.701 . . . . 1.01 109.261 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.07 136.71 37.07 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.43 -0.794 . . . . 0.63 109.878 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 68.4 p -88.5 154.9 19.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 1.1299999999999999 109.003 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -146.54 130.17 16.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.094 -1.004 . . . . 1.1000000000000001 109.078 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -83.69 126.5 32.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 108.808 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.2 mt -120.06 120.14 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.419 -0.801 . . . . 1.1499999999999999 109.518 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.49 143.91 36.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.445 -0.784 . . . . 2.77 110.449 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 115.84 1.32 Allowed Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.661 -0.976 . . . . 0.42999999999999999 110.661 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' D' ' 17' ' ' ARG . 40.9 ttt-85 -64.08 -43.11 96.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.175 -1.191 . . . . 3.1200000000000001 109.255 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.08 -40.17 88.63 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.558 -1.339 . . . . 2.2200000000000002 107.937 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.86 -38.4 88.13 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.414 -0.958 . . . . 3.5 108.414 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.18 -45.39 91.15 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.298 -0.876 . . . . 0.5 110.03 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.8 -41.13 90.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.951 -1.093 . . . . 1.6899999999999999 109.193 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.3 ttp -60.04 -49.65 76.8 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.812 -0.81 . . . . 1.1399999999999999 108.812 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.92 -39.59 92.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.32000000000000001 108.856 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.75 -47.07 83.52 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.3 -1.0 . . . . 2.96 108.3 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.477 -0.765 . . . . 1.75 109.186 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.47 -45.89 92.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.326 -0.859 . . . . 1.0800000000000001 108.952 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -60.24 -49.59 77.03 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.518 -0.739 . . . . 1.22 109.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.22 -40.81 95.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 1.73 109.784 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -51.06 71.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 1.0700000000000001 109.589 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.03 -43.09 99.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.087 -1.008 . . . . 1.1100000000000001 109.714 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.17 -40.27 89.37 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.922 -1.112 . . . . 1.9099999999999999 109.421 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.32 -47.21 86.99 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.009 -1.108 . . . . 1.1699999999999999 108.009 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.04 -40.64 90.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.42 -0.8 . . . . 2.1499999999999999 109.109 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.461 ' CG ' HH22 ' B' ' 19' ' ' ARG . 84.3 m-20 -60.01 -40.32 88.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.209 -0.932 . . . . 1.4399999999999999 109.795 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -26.45 66.58 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.283 -0.885 . . . . 1.3 109.415 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.135 -0.691 . . . . 1.3999999999999999 109.135 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.206 0.527 . . . . 1.7 109.711 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -97.09 147.06 24.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.331 -0.855 . . . . 1.04 109.536 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.71 138.91 43.22 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.35 -0.844 . . . . 0.65000000000000002 109.419 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -89.5 154.34 20.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 1.1399999999999999 108.985 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.83 133.81 21.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.158 -0.964 . . . . 1.0900000000000001 109.423 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.415 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.8 tt0 -84.88 127.76 34.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.3700000000000001 108.876 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 120.07 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.419 -0.8 . . . . 1.1499999999999999 109.514 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.64 36.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 2.79 110.082 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.38 123.25 0.62 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.487 -1.045 . . . . 0.45000000000000001 110.487 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -65.63 -41.58 92.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.397 -1.061 . . . . 3.1600000000000001 109.241 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.52 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.355 -0.84 . . . . 2.2200000000000002 109.279 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.4 ttm180 -60.76 -40.55 92.92 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.234 -0.916 . . . . 3.54 108.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.92 -47.98 83.56 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.5 109.046 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -40.7 89.68 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.976 -1.12 . . . . 1.6599999999999999 107.976 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 30.8 ttp -63.2 -50.13 71.51 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.501 -0.749 . . . . 1.1499999999999999 109.176 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.57 -39.98 93.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.655 -0.868 . . . . 0.34000000000000002 108.655 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -56.21 -47.73 77.82 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.316 -0.994 . . . . 2.9399999999999999 108.316 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.18 -46.74 88.66 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.391 -0.818 . . . . 1.74 108.913 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.6 92.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.162 -0.961 . . . . 1.0700000000000001 109.207 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -60.06 -50.03 75.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.54 -40.03 93.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 1.72 109.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.213 -0.929 . . . . 1.0700000000000001 109.621 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.01 -44.65 96.27 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.98 94.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.318 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.32 -49.94 75.58 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.239 -0.913 . . . . 1.1499999999999999 109.059 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.31 -41.05 92.64 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.515 -0.741 . . . . 2.1400000000000001 109.559 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.545 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 97.5 m-20 -60.05 -40.2 88.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 1.4299999999999999 109.596 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.12 97.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.322 -0.861 . . . . 1.3 109.656 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.09 -1.006 . . . . 1.4199999999999999 109.495 179.742 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 1.6100000000000001 109.563 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . 0.425 ' CB ' HE21 ' D' ' 13' ' ' GLN . 89.9 m-85 -96.7 147.79 23.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.313 -0.867 . . . . 0.96999999999999997 109.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.54 139.45 42.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.315 -0.866 . . . . 0.59999999999999998 109.47 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -89.78 154.42 19.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.219 -0.925 . . . . 1.1000000000000001 108.915 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 tp -146.24 134.01 21.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 1.1000000000000001 109.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.438 HE21 ' CB ' ' D' ' 9' ' ' TYR . 61.6 tt0 -85.24 127.83 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.812 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.98 119.98 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.365 -0.834 . . . . 1.1699999999999999 109.47 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.65 36.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.79 109.969 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.49 123.68 0.65 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.367 -1.093 . . . . 0.47999999999999998 110.367 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -66.37 -41.43 89.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.325 -1.103 . . . . 3.2200000000000002 109.162 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.14 93.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.335 -0.853 . . . . 2.21 109.183 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.7 ttm180 -61.34 -40.22 93.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 3.5499999999999998 108.844 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.92 -48.21 82.63 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.354 -0.841 . . . . 0.52000000000000002 109.019 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.7 89.2 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.279 -1.008 . . . . 1.6799999999999999 108.279 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 32.7 ttp -63.42 -49.91 71.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.385 -0.822 . . . . 1.1499999999999999 109.03 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.55 -39.97 93.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.33000000000000002 108.815 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -56.52 -47.75 78.7 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.392 -0.966 . . . . 3.02 108.392 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -46.57 89.09 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.397 -0.815 . . . . 1.75 108.933 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.02 -45.51 93.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 1.0700000000000001 109.159 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.1 -49.98 75.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 1.21 109.567 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.88 -39.9 93.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.95 -50.07 75.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 1.0600000000000001 109.623 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.59 -45.25 94.93 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 1.0800000000000001 109.201 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.58 92.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9299999999999999 109.557 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.095 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.14 -41.32 92.45 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.414 -0.804 . . . . 2.1899999999999999 109.452 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.8 m-20 -60.12 -39.92 87.93 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.127 -0.983 . . . . 1.4299999999999999 109.45 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.73 96.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 1.3100000000000001 109.633 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 1.3999999999999999 109.604 179.727 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.291 0.567 . . . . 2.1099999999999999 109.721 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . 0.415 ' CB ' HE21 ' A' ' 13' ' ' GLN . 89.7 m-85 -96.84 147.46 23.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.231 -0.918 . . . . 1.01 109.582 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.14 139.43 42.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.368 -0.833 . . . . 0.57999999999999996 109.466 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 153.93 20.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.195 -0.941 . . . . 1.1599999999999999 108.977 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.73 133.8 21.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.14 -0.975 . . . . 1.1699999999999999 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.85 127.9 34.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.391 -0.818 . . . . 1.8100000000000001 108.793 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 120.13 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 121.437 -0.79 . . . . 1.1299999999999999 109.399 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.37 150.02 36.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 2.8199999999999998 109.932 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 123.26 0.55 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.578 -1.009 . . . . 0.45000000000000001 110.578 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.71 -41.8 91.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -1.065 . . . . 3.0800000000000001 109.38 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -42.49 94.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 2.54 109.119 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.545 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 43.7 ttm180 -61.08 -40.38 93.46 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.238 -0.914 . . . . 4.1100000000000003 108.724 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.11 -48.0 83.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.365 -0.834 . . . . 0.56999999999999995 108.837 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.95 -40.62 89.61 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.239 -1.023 . . . . 1.6599999999999999 108.239 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.2 ttp -63.3 -50.08 71.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 1.29 109.079 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.44 -39.95 92.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.92 -0.77 . . . . 0.40000000000000002 108.92 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.57 -47.66 79.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.425 -0.954 . . . . 3.8500000000000001 108.425 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.11 -46.95 87.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.376 -0.828 . . . . 1.78 108.793 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.71 -45.6 93.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 1.1699999999999999 109.166 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.03 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 1.2 109.545 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.69 -39.99 93.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.403 -0.81 . . . . 2.1200000000000001 109.974 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.373 -0.829 . . . . 1.0700000000000001 109.606 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.85 -44.89 95.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.025 -1.047 . . . . 1.1399999999999999 109.225 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.19 -41.2 92.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.465 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.24 -49.89 75.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 1.3799999999999999 109.173 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.5 -41.13 93.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 2.6800000000000002 109.494 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.1 m-20 -60.05 -39.89 87.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.389 -0.819 . . . . 1.3400000000000001 109.522 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.265 -0.897 . . . . 1.3 109.648 -179.71 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.37 0.605 . . . . 1.6699999999999999 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . 0.438 ' CB ' HE21 ' B' ' 13' ' ' GLN . 90.5 m-85 -96.98 147.55 23.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.212 -0.93 . . . . 1.01 109.487 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.12 139.61 43.08 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.275 -0.89 . . . . 0.63 109.477 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 63.4 p -89.61 154.81 19.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.188 -0.945 . . . . 1.1299999999999999 108.914 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -146.54 132.86 19.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.068 -1.02 . . . . 1.1000000000000001 109.516 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . 0.425 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.7 tt0 -84.25 127.76 34.15 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.724 -0.843 . . . . 1.3700000000000001 108.724 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.11 119.94 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.363 -0.836 . . . . 1.1499999999999999 109.485 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.44 149.58 36.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.354 -0.841 . . . . 2.77 110.069 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.45 124.01 0.66 Allowed Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.301 -1.12 . . . . 0.42999999999999999 110.301 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.66 -40.93 88.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.261 -1.141 . . . . 3.1200000000000001 109.121 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.79 95.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 2.2200000000000002 109.14 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.4 ttm180 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.281 -0.887 . . . . 3.5 108.892 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.07 -47.91 83.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.375 -0.828 . . . . 0.5 109.008 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.94 -40.4 88.84 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.199 -1.037 . . . . 1.6899999999999999 108.199 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 32.1 ttp -63.64 -50.0 71.04 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.47 -0.769 . . . . 1.1399999999999999 109.22 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.39 -39.9 92.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.821 -0.807 . . . . 0.32000000000000001 108.821 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -56.41 -47.58 78.73 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.307 -0.997 . . . . 2.96 108.307 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.22 -46.43 89.78 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.491 -0.756 . . . . 1.75 108.963 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.23 -45.87 91.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.254 -0.904 . . . . 1.0800000000000001 109.107 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.98 -49.91 75.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.386 -0.821 . . . . 1.22 109.536 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 1.73 109.909 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.05 75.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.129 -0.982 . . . . 1.0700000000000001 109.57 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.58 -45.4 94.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.138 -0.976 . . . . 1.1100000000000001 109.267 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.36 92.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.372 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.08 -49.84 76.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.272 -0.893 . . . . 1.1699999999999999 109.024 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.25 -41.16 92.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.43 -0.794 . . . . 2.1499999999999999 109.4 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.01 -40.09 88.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.353 -0.842 . . . . 1.4399999999999999 109.595 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.267 -0.895 . . . . 1.3 109.617 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.123 -0.985 . . . . 1.3999999999999999 109.466 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.138 -0.69 . . . . 1.7 109.138 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.27 142.65 39.83 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.598 -0.689 . . . . 1.04 109.278 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -133.99 140.46 46.73 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.271 -0.893 . . . . 0.65000000000000002 109.698 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.28 155.56 19.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.243 -0.911 . . . . 1.1399999999999999 109.195 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.92 130.04 16.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.056 -1.027 . . . . 1.0900000000000001 109.352 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 128.32 34.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 1.3700000000000001 108.978 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.0 119.97 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.307 -0.871 . . . . 1.1499999999999999 109.648 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -76.98 145.0 38.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.327 -0.858 . . . . 2.79 109.912 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.76 112.72 1.86 Allowed Glycine 0 N--CA 1.499 2.833 0 N-CA-C 110.409 -1.076 . . . . 0.45000000000000001 110.409 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -60.07 -49.37 77.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -1.085 . . . . 3.1600000000000001 109.284 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.2200000000000002 108.698 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.523 HH12 ' CD ' ' D' ' 25' ' ' GLU . 10.2 tpp180 -60.15 -38.69 83.89 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.756 . . . . 3.54 109.467 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.04 -42.84 86.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.858 . . . . 0.5 109.513 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.59 86.22 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.165 -0.96 . . . . 1.6599999999999999 108.594 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.6 ttp -59.95 -50.85 72.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.464 -0.773 . . . . 1.1499999999999999 109.69 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -62.99 -40.09 96.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 0.34000000000000002 109.29 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -52.97 -48.78 67.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 2.9399999999999999 109.273 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.415 ' CD ' HH12 ' D' ' 19' ' ' ARG . 84.4 tt0 -60.01 -47.26 86.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.11 -0.994 . . . . 1.74 109.359 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -46.2 89.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.139 -0.975 . . . . 1.0700000000000001 108.916 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.85 -50.16 74.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 1.22 109.618 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.397 -0.815 . . . . 1.72 109.774 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.72 82.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.317 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.26 -41.86 97.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.068 -1.02 . . . . 1.0800000000000001 109.288 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.38 -41.01 92.87 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.179 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.18 -49.98 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 1.1499999999999999 109.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.27 -40.2 95.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 2.1400000000000001 109.443 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.12 -39.93 87.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.406 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.15 95.68 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.372 -0.83 . . . . 1.3 109.282 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.199 -0.938 . . . . 1.4199999999999999 109.341 179.753 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.309 -0.626 . . . . 1.6100000000000001 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.69 142.92 40.18 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 109.206 -0.664 . . . . 0.96999999999999997 109.206 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -134.17 140.84 46.8 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.303 -0.873 . . . . 0.59999999999999998 109.686 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -88.74 154.77 20.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.858 . . . . 1.1000000000000001 109.268 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -146.27 129.98 17.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.062 -1.024 . . . . 1.1000000000000001 109.346 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -85.85 128.21 34.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 1.3600000000000001 109.014 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.4 mt -120.08 120.06 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.389 -0.82 . . . . 1.1699999999999999 109.531 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -76.92 145.08 38.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.516 -0.74 . . . . 2.79 109.923 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.68 112.66 1.83 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.425 -1.07 . . . . 0.47999999999999998 110.425 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.98 -49.49 77.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.376 -1.073 . . . . 3.2200000000000002 109.436 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.643 -0.873 . . . . 2.21 108.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.522 HH12 ' CD ' ' C' ' 25' ' ' GLU . 9.9 tpp180 -60.02 -39.64 86.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.659 -0.651 . . . . 3.5499999999999998 109.337 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.32 -42.91 82.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.52000000000000002 109.466 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.92 -39.31 85.02 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.659 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 39.5 ttp -59.94 -50.8 72.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 1.1499999999999999 109.762 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -63.05 -40.05 96.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.33000000000000002 109.334 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -53.19 -48.66 67.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 3.02 109.364 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.518 ' OE2' ' NH1' ' C' ' 19' ' ' ARG . 83.7 tt0 -60.08 -47.52 85.53 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.13 -0.981 . . . . 1.75 109.194 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -46.31 89.82 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.145 -0.972 . . . . 1.0700000000000001 108.978 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -60.05 -49.83 76.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.433 -0.792 . . . . 1.21 109.551 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -39.76 87.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.351 -0.843 . . . . 1.6899999999999999 109.914 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.14 85.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 1.0600000000000001 109.352 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.61 -41.75 97.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 1.0800000000000001 109.238 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.25 -41.3 92.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.436 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.27 -49.88 75.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 1.1399999999999999 109.485 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.33 -40.12 95.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 2.1899999999999999 109.353 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.99 87.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.261 -0.9 . . . . 1.4299999999999999 109.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.01 94.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 1.3100000000000001 109.349 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.967 . . . . 1.3999999999999999 109.473 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.255 -0.646 . . . . 2.1099999999999999 109.255 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.43 142.32 40.58 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.563 -0.71 . . . . 1.01 109.288 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -133.58 140.69 47.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.304 -0.873 . . . . 0.57999999999999996 109.584 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -88.38 155.7 19.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.406 -0.809 . . . . 1.1599999999999999 109.163 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.77 130.69 17.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.073 -1.017 . . . . 1.1699999999999999 109.446 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -86.49 127.72 34.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 1.8100000000000001 109.132 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 120.0 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.323 -0.861 . . . . 1.1299999999999999 109.539 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -77.05 144.73 38.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.484 -0.76 . . . . 2.8199999999999998 109.792 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.61 112.31 2.01 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.351 -1.1 . . . . 0.45000000000000001 110.351 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -59.98 -49.64 76.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -1.081 . . . . 3.0800000000000001 109.283 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -59.97 -39.92 87.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.235 -0.916 . . . . 2.54 108.767 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.518 ' NH1' ' OE2' ' B' ' 25' ' ' GLU . 10.2 tpp180 -60.08 -39.16 85.1 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.605 -0.684 . . . . 4.1100000000000003 109.433 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.39 -42.64 82.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.228 -0.92 . . . . 0.56999999999999995 109.672 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.761 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 39.4 ttp -59.98 -50.69 72.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.63 -0.669 . . . . 1.29 109.838 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -63.47 -39.94 95.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.898 . . . . 0.40000000000000002 109.374 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -53.23 -48.72 67.96 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 3.8500000000000001 109.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . 0.522 ' CD ' HH12 ' B' ' 19' ' ' ARG . 83.4 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.092 -1.005 . . . . 1.78 109.322 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -45.97 90.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.1 -1.0 . . . . 1.1699999999999999 108.992 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.06 -49.94 75.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.2 109.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.408 ' CB ' ' HZ1' ' D' ' 33' ' ' LYS . 98.8 mt-10 -60.06 -39.36 85.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.955 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.93 86.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.044 -1.035 . . . . 1.0700000000000001 109.408 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.87 -41.74 98.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 1.1399999999999999 109.089 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.16 -41.77 93.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.386 -0.821 . . . . 2.0899999999999999 109.484 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.284 -0.885 . . . . 1.3799999999999999 109.434 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.9 -40.35 96.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.325 -0.859 . . . . 2.6800000000000002 109.563 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.05 -39.93 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.361 -0.837 . . . . 1.3400000000000001 109.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.323 -0.86 . . . . 1.3 109.368 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.281 -0.637 . . . . 1.6699999999999999 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.36 142.88 39.67 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.524 -0.735 . . . . 1.01 109.161 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.22 140.23 46.34 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.332 -0.855 . . . . 0.63 109.584 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -88.1 155.53 19.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.335 -0.853 . . . . 1.1299999999999999 109.156 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -147.01 130.01 16.33 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.003 -1.061 . . . . 1.1000000000000001 109.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -86.04 128.24 34.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.3700000000000001 109.081 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.98 120.0 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.435 -0.79 . . . . 1.1499999999999999 109.622 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -77.05 145.2 38.08 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.817 . . . . 2.77 109.958 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 112.66 1.89 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.582 -1.007 . . . . 0.42999999999999999 110.582 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -60.09 -49.42 77.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.249 -1.148 . . . . 3.1200000000000001 109.387 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.01 -39.86 87.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 2.2200000000000002 108.705 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.415 HH12 ' CD ' ' A' ' 25' ' ' GLU . 10.4 tpp180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.466 -0.771 . . . . 3.5 109.47 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.81 -42.91 80.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.933 . . . . 0.5 109.61 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.55 85.94 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 108.749 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 39.7 ttp -60.0 -50.51 73.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 1.1399999999999999 109.819 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.35 -40.0 96.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.32000000000000001 109.311 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -53.15 -48.67 67.76 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 2.96 109.297 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . 0.523 ' CD ' HH12 ' A' ' 19' ' ' ARG . 83.6 tt0 -60.06 -47.3 86.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.096 -1.002 . . . . 1.75 109.287 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.37 -46.2 89.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.178 -0.951 . . . . 1.0800000000000001 109.104 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.445 -0.785 . . . . 1.22 109.69 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.461 -0.775 . . . . 1.73 109.749 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.03 -47.21 83.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.423 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.58 -42.24 98.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 1.1100000000000001 109.131 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -41.43 92.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.322 -0.861 . . . . 1.9099999999999999 109.213 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.01 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.376 -0.827 . . . . 1.1699999999999999 109.476 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . 0.408 ' HZ1' ' CB ' ' C' ' 28' ' ' GLU . 33.9 ttmt -64.42 -40.01 94.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 2.1499999999999999 109.453 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.417 -0.802 . . . . 1.4399999999999999 109.351 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.11 95.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.342 -0.849 . . . . 1.3 109.397 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 1.3999999999999999 109.355 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.208 0.528 . . . . 1.7 109.639 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CB ' HE21 ' C' ' 13' ' ' GLN . 96.5 m-85 -102.56 148.34 25.66 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.456 -0.778 . . . . 1.04 109.124 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.63 134.26 44.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.376 -0.827 . . . . 0.65000000000000002 109.698 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -87.97 156.89 19.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 1.1399999999999999 108.967 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -146.43 129.22 16.24 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 1.0900000000000001 108.962 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -85.04 127.09 34.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.244 -0.91 . . . . 1.3700000000000001 108.802 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.06 120.08 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.516 -0.74 . . . . 1.1499999999999999 110.05 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.5 148.97 38.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.508 -0.745 . . . . 2.79 109.949 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 125.29 0.73 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.379 -1.089 . . . . 0.45000000000000001 110.379 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.06 -40.71 78.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -1.129 . . . . 3.1600000000000001 109.409 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -44.03 95.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 2.2200000000000002 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.34 -39.98 89.06 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 3.54 109.065 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -47.4 84.71 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.428 -0.795 . . . . 0.5 109.198 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.82 -39.96 86.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.091 -1.005 . . . . 1.6599999999999999 108.536 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 54.9 ttp -62.62 -50.81 69.78 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.402 -0.811 . . . . 1.1499999999999999 109.704 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.67 -40.96 98.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.202 -0.936 . . . . 0.34000000000000002 109.038 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.74 -41.07 90.12 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.626 -0.879 . . . . 2.9399999999999999 108.626 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.9 75.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.426 -0.796 . . . . 1.74 109.011 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.52 -42.51 99.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 108.893 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.04 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 1.22 109.449 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.93 -39.96 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.286 -0.884 . . . . 1.72 109.774 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.69 -44.77 93.53 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.241 -0.912 . . . . 1.0700000000000001 109.007 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.08 -40.82 98.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.145 -0.972 . . . . 1.0800000000000001 109.033 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -47.44 85.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 1.9099999999999999 108.982 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.05 -49.7 76.64 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.476 -0.935 . . . . 1.1499999999999999 108.476 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -60.09 -41.79 93.25 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.096 -0.705 . . . . 2.1400000000000001 109.096 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.19 -40.04 88.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.746 . . . . 1.4299999999999999 110.314 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.96 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.127 -0.983 . . . . 1.3 109.94 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--N 1.302 -1.483 0 O-C-N 121.168 -0.957 . . . . 1.4199999999999999 109.102 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.564 -0.532 . . . . 1.6100000000000001 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.23 148.59 25.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.96999999999999997 109.079 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.8 134.56 44.84 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.325 -0.86 . . . . 0.59999999999999998 109.689 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.1 157.6 18.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 1.1000000000000001 108.872 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -146.65 130.04 16.74 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.994 . . . . 1.1000000000000001 108.821 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.402 HE21 ' CB ' ' D' ' 9' ' ' TYR . 59.2 tt0 -85.95 126.88 34.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 108.879 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.01 120.04 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.373 -0.829 . . . . 1.1699999999999999 110.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.53 148.73 38.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.527 -0.733 . . . . 2.79 109.987 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 125.3 0.76 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.175 -1.17 . . . . 0.47999999999999998 110.175 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.29 -40.65 77.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -1.105 . . . . 3.2200000000000002 109.409 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.23 -44.24 95.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 2.21 109.245 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -60.17 -39.98 88.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.41 -0.806 . . . . 3.5499999999999998 109.075 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.52000000000000002 109.243 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.97 -40.17 88.15 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.982 -1.074 . . . . 1.6799999999999999 108.628 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 57.3 ttp -62.58 -50.07 72.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.354 -0.842 . . . . 1.1499999999999999 109.861 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.4 -40.99 98.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.33000000000000002 108.908 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -59.85 -40.98 90.42 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.606 -0.886 . . . . 3.02 108.606 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -49.58 77.1 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.406 -0.808 . . . . 1.75 108.964 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.86 -42.49 99.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.982 . . . . 1.0700000000000001 108.849 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.96 -50.05 75.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.35 -0.844 . . . . 1.21 109.57 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.71 -40.01 93.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.679 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.79 94.09 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.261 -0.899 . . . . 1.0600000000000001 109.121 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.1 -40.71 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 1.0800000000000001 108.937 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -47.13 87.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 1.9299999999999999 108.873 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.04 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.435 -0.95 . . . . 1.1399999999999999 108.435 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -60.08 -41.5 92.58 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.07 -0.715 . . . . 2.1899999999999999 109.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.12 -39.9 87.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 110.261 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.99 94.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 1.3100000000000001 109.863 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.107 -0.996 . . . . 1.3999999999999999 109.209 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.257 0.551 . . . . 2.1099999999999999 109.875 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.01 148.24 25.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.495 -0.753 . . . . 1.01 109.324 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.43 134.23 44.84 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.454 -0.779 . . . . 0.57999999999999996 109.671 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.02 157.34 18.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.792 . . . . 1.1599999999999999 108.942 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -146.59 129.42 16.25 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.017 . . . . 1.1699999999999999 109.002 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . 0.403 HE21 ' CB ' ' A' ' 9' ' ' TYR . 59.3 tt0 -85.15 126.82 33.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -0.823 . . . . 1.8100000000000001 108.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.08 120.4 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 1.1299999999999999 110.112 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.55 149.6 38.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.487 -0.758 . . . . 2.8199999999999998 109.962 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.61 124.14 0.57 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.495 -1.042 . . . . 0.45000000000000001 110.495 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.76 -41.27 83.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -1.077 . . . . 3.0800000000000001 109.504 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.2 -43.7 95.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.091 -1.006 . . . . 2.54 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.5 -39.89 89.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.294 -0.879 . . . . 4.1100000000000003 109.081 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.05 -47.07 86.56 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.368 -0.832 . . . . 0.56999999999999995 109.28 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.91 -39.95 87.15 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.043 -1.035 . . . . 1.6599999999999999 108.508 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 57.2 ttp -62.84 -50.23 71.78 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.393 -0.817 . . . . 1.29 109.797 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.05 -41.13 99.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.40000000000000002 108.924 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.67 -40.93 89.39 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.681 -0.859 . . . . 3.8500000000000001 108.681 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.85 76.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.404 -0.81 . . . . 1.78 108.936 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.67 -42.28 99.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.152 -0.967 . . . . 1.1699999999999999 108.966 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.08 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.421 -0.799 . . . . 1.2 109.652 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.01 -39.94 93.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.741 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.66 94.11 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 109.034 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.39 -40.61 97.69 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.147 -0.971 . . . . 1.1399999999999999 109.004 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.03 -47.13 87.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 2.0899999999999999 108.982 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.14 -49.86 75.97 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.344 -0.984 . . . . 1.3799999999999999 108.344 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -60.0 -41.35 91.89 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.014 -0.735 . . . . 2.6800000000000002 109.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.32 -40.08 89.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.476 -0.765 . . . . 1.3400000000000001 110.216 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.143 -0.973 . . . . 1.3 109.923 -178.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.29 0.567 . . . . 1.6699999999999999 109.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . 0.402 ' CB ' HE21 ' B' ' 13' ' ' GLN . 96.4 m-85 -103.42 148.53 25.79 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.388 -0.82 . . . . 1.01 109.174 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -132.63 134.75 45.27 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.375 -0.828 . . . . 0.63 109.758 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.26 157.1 18.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.427 -0.796 . . . . 1.1299999999999999 108.916 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -146.34 129.6 16.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.103 -0.998 . . . . 1.1000000000000001 108.926 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -85.41 127.18 34.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.9 . . . . 1.3700000000000001 108.806 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.01 120.34 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.421 -0.799 . . . . 1.1499999999999999 110.214 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.76 148.85 38.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.427 -0.796 . . . . 2.77 110.054 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.12 125.4 0.69 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.373 -1.091 . . . . 0.42999999999999999 110.373 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' D' ' 21' ' ' GLU . 4.7 tmt_? -68.72 -40.72 79.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -1.047 . . . . 3.1200000000000001 109.475 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.43 -43.7 96.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.123 -0.986 . . . . 2.2200000000000002 109.469 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.44 -39.94 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 3.5 109.033 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.82 -47.22 85.56 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.351 -0.843 . . . . 0.5 109.27 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' D' ' 17' ' ' ARG . 47.4 mt-10 -59.94 -40.12 87.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.127 -0.983 . . . . 1.6899999999999999 108.519 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 56.4 ttp -62.54 -50.33 71.76 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.392 -0.817 . . . . 1.1399999999999999 109.675 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.25 -40.84 98.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.32000000000000001 108.95 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.88 -40.97 90.52 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.614 -0.884 . . . . 2.96 108.614 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -49.82 76.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.438 -0.789 . . . . 1.75 109.0 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -42.7 99.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 108.907 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.05 -49.74 76.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 1.22 109.746 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.93 93.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.73 109.746 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.43 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.213 -0.93 . . . . 1.0700000000000001 109.053 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -40.54 97.27 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 1.1100000000000001 108.938 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 1.9099999999999999 109.037 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -59.93 -49.93 75.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.426 -0.953 . . . . 1.1699999999999999 108.426 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -60.06 -40.91 91.13 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.214 -0.662 . . . . 2.1499999999999999 109.214 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.66 -40.0 90.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 110.236 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.63 95.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.336 -0.852 . . . . 1.3 109.858 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.072 -1.018 . . . . 1.3999999999999999 109.16 179.693 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.542 0.686 . . . . 1.7 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.35 145.56 28.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.505 -0.747 . . . . 1.04 109.466 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -135.22 138.99 44.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.197 -0.94 . . . . 0.65000000000000002 109.342 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -90.46 155.77 18.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.422 -0.799 . . . . 1.1399999999999999 109.004 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -145.85 128.33 16.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.022 . . . . 1.0900000000000001 109.039 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.53 126.62 33.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 1.3700000000000001 109.215 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.78 121.79 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.639 -0.663 . . . . 1.1499999999999999 109.345 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -77.22 144.62 38.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.569 -0.707 . . . . 2.79 110.075 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.73 125.28 0.93 Allowed Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.263 -0.898 . . . . 0.45000000000000001 111.078 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -65.72 -41.67 91.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -1.09 . . . . 3.1600000000000001 109.236 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.13 -42.96 95.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.753 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 39.1 ttm180 -61.07 -41.95 97.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.407 -0.808 . . . . 3.54 109.051 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.19 -49.26 78.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.5 109.143 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.5 -39.35 76.28 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.515 -0.92 . . . . 1.6599999999999999 108.515 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -60.09 -52.15 66.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.344 -0.847 . . . . 1.1499999999999999 110.475 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -67.2 -39.7 86.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.999 -1.063 . . . . 0.34000000000000002 109.837 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.89 -43.53 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 2.9399999999999999 108.906 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.671 -0.863 . . . . 1.74 108.671 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.52 -42.93 98.43 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 109.261 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.48 -49.68 76.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 1.22 109.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 1.72 109.194 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.06 82.95 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.34 -0.85 . . . . 1.0700000000000001 109.351 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.0 -42.92 99.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.115 -0.991 . . . . 1.0800000000000001 109.333 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.13 -40.04 92.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.9099999999999999 109.582 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.13 -51.79 68.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 1.1499999999999999 109.031 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.67 -40.47 95.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.315 -0.866 . . . . 2.1400000000000001 109.18 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.93 -40.12 87.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 1.4299999999999999 110.114 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.18 88.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.031 -1.043 . . . . 1.3 110.113 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.108 -0.995 . . . . 1.4199999999999999 110.001 -179.376 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.547 0.689 . . . . 1.6100000000000001 109.57 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -100.39 143.62 30.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.432 -0.793 . . . . 0.96999999999999997 109.442 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -132.61 139.26 47.69 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.238 -0.914 . . . . 0.59999999999999998 109.494 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 65.8 p -90.79 156.69 17.86 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.842 -0.799 . . . . 1.1000000000000001 108.842 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -147.63 127.54 13.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.022 . . . . 1.1000000000000001 108.817 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -83.7 128.64 34.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.246 -0.909 . . . . 1.3600000000000001 109.086 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -121.47 120.82 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.659 -0.65 . . . . 1.1699999999999999 109.933 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -75.56 143.59 42.33 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.519 -0.738 . . . . 2.79 110.133 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.24 125.44 0.86 Allowed Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.462 -0.875 . . . . 0.47999999999999998 111.457 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -64.73 -41.42 95.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.575 -0.956 . . . . 3.2200000000000002 109.511 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.1 -42.91 95.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 2.21 108.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.549 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 38.8 ttm180 -61.35 -43.04 99.55 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.57 -0.9 . . . . 3.5499999999999998 108.57 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.19 -48.7 80.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.52 -0.738 . . . . 0.52000000000000002 109.084 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.66 -39.87 81.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 1.6799999999999999 109.163 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.1 ttp -60.81 -51.82 67.71 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 1.1499999999999999 110.428 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.06 -39.81 90.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.33000000000000002 109.598 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -56.12 -42.43 76.87 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.51 -0.876 . . . . 3.02 108.692 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.05 -47.62 85.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.972 . . . . 1.75 108.979 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.85 -42.09 90.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 1.0700000000000001 109.521 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.363 -0.836 . . . . 1.21 109.723 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.54 -37.26 85.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.605 -0.684 . . . . 1.6899999999999999 109.324 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.75 84.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 1.0600000000000001 109.12 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.8 -41.87 98.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 1.0800000000000001 109.342 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.66 -40.32 94.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 1.9299999999999999 109.012 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.5 -52.43 65.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.779 -0.823 . . . . 1.1399999999999999 108.779 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -61.14 -40.76 95.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 2.1899999999999999 109.224 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.466 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.1 m-20 -60.55 -39.6 88.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.525 -0.735 . . . . 1.4299999999999999 110.068 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.4 94.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.079 -1.013 . . . . 1.3100000000000001 110.058 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 120.766 -1.209 . . . . 1.3999999999999999 109.817 -179.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.453 0.644 . . . . 2.1099999999999999 109.523 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.5 140.62 35.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.372 -0.83 . . . . 1.01 109.566 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.63 139.85 51.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.332 -0.855 . . . . 0.57999999999999996 109.508 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -90.91 156.75 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.694 -0.854 . . . . 1.1599999999999999 108.694 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.05 127.97 14.48 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.061 -1.025 . . . . 1.1699999999999999 108.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -84.26 127.1 33.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.42 -0.8 . . . . 1.8100000000000001 109.284 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.2 122.24 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.343 -0.848 . . . . 1.1299999999999999 109.774 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -78.04 142.78 37.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.496 -0.753 . . . . 2.8199999999999998 110.543 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 124.22 1.19 Allowed Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.858 -0.897 . . . . 0.45000000000000001 110.858 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -64.09 -42.12 97.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -1.078 . . . . 3.0800000000000001 109.674 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.82 -42.4 93.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.045 -1.034 . . . . 2.54 108.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.496 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.674 -0.861 . . . . 4.1100000000000003 108.674 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.81 -48.42 81.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.483 -0.761 . . . . 0.56999999999999995 109.545 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.55 -39.21 83.23 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.191 -0.943 . . . . 1.6599999999999999 109.158 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 49.6 ttp -60.6 -53.38 58.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 1.29 110.416 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.94 -39.17 93.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.951 -1.093 . . . . 0.40000000000000002 109.565 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -56.49 -43.07 79.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.287 -0.883 . . . . 3.8500000000000001 108.823 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.18 -46.99 87.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.68 -0.859 . . . . 1.78 108.68 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.67 -43.76 88.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.451 -0.781 . . . . 1.1699999999999999 109.374 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -60.14 -48.63 80.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 1.2 109.888 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.6 -39.88 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.397 -0.814 . . . . 2.1200000000000001 109.798 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.94 91.1 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.457 -0.777 . . . . 1.0700000000000001 109.402 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.4 -41.36 98.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 1.1399999999999999 108.779 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.345 -0.847 . . . . 2.0899999999999999 108.798 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.51 -52.16 66.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.452 -0.78 . . . . 1.3799999999999999 109.379 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.428 ' HZ2' HD13 ' D' ' 32' ' ' LEU . 18.9 ttmm -61.12 -41.37 96.58 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.123 -0.985 . . . . 2.6800000000000002 109.225 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.557 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.6 m-20 -60.68 -39.6 89.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.594 -0.691 . . . . 1.3400000000000001 110.386 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.131 -0.981 . . . . 1.3 110.038 -179.017 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.376 0.608 . . . . 1.6699999999999999 109.813 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 140.82 33.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.423 -0.798 . . . . 1.01 109.19 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.03 137.49 50.28 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.257 -0.902 . . . . 0.63 109.388 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.12 153.71 20.75 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.698 -0.853 . . . . 1.1299999999999999 108.698 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -144.79 128.5 17.22 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.12 -0.988 . . . . 1.1000000000000001 108.703 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.15 128.33 34.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 1.3700000000000001 109.359 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -120.65 121.79 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.606 -0.684 . . . . 1.1499999999999999 109.662 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.78 144.11 39.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.77 109.925 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 124.94 1.18 Allowed Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.196 -0.94 . . . . 0.42999999999999999 111.057 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -66.35 -40.8 90.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -1.158 . . . . 3.1200000000000001 108.921 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.26 -42.53 95.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.159 -0.963 . . . . 2.2200000000000002 108.707 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.466 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 39.2 ttm180 -61.92 -41.04 97.46 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.488 -0.758 . . . . 3.5 109.211 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.12 -49.2 78.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.817 . . . . 0.5 109.268 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.83 -39.18 77.05 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.446 -0.784 . . . . 1.6899999999999999 108.934 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 54.6 ttp -60.4 -52.8 63.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.326 -0.859 . . . . 1.1399999999999999 109.952 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.98 -39.88 90.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.123 -0.985 . . . . 0.32000000000000001 109.977 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.29 -42.29 77.28 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.084 -1.01 . . . . 2.96 108.526 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.13 -48.9 79.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.316 -0.865 . . . . 1.75 109.031 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.38 -42.85 95.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 1.0800000000000001 109.311 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.14 -50.23 74.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.232 -0.917 . . . . 1.22 109.882 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.45 -38.61 87.85 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.392 -0.818 . . . . 1.73 109.255 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.94 90.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.907 . . . . 1.0700000000000001 109.74 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -40.86 98.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.045 -1.034 . . . . 1.1100000000000001 109.088 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.85 -40.27 94.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 1.9099999999999999 109.343 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . 0.428 HD13 ' HZ2' ' C' ' 33' ' ' LYS . 3.7 tt -59.99 -51.54 69.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 1.1699999999999999 108.913 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.42 -40.4 96.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 2.1499999999999999 109.477 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.549 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.7 m-20 -60.4 -39.84 88.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.311 -0.868 . . . . 1.4399999999999999 110.146 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.52 90.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 1.3 109.89 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 C--N 1.303 -1.443 0 O-C-N 121.185 -0.947 . . . . 1.3999999999999999 110.023 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.324 -0.621 . . . . 1.7 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -109.96 142.05 41.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.494 -0.754 . . . . 1.04 109.749 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.17 140.45 45.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.65000000000000002 109.528 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -89.63 155.09 19.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.282 -0.886 . . . . 1.1399999999999999 109.172 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.96 129.38 16.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.121 -0.987 . . . . 1.0900000000000001 109.285 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.08 127.94 34.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 1.3700000000000001 109.083 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.06 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.538 -0.726 . . . . 1.1499999999999999 110.186 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -75.63 145.93 40.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.457 -0.777 . . . . 2.79 109.701 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.96 0.98 Allowed Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.053 -1.219 . . . . 0.45000000000000001 110.053 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 17' ' ' ARG . 29.6 ttt-85 -67.96 -42.33 81.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -1.122 . . . . 3.1600000000000001 109.111 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.2 -41.4 92.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 108.945 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 38.8 ttm180 -60.04 -40.11 88.27 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.505 -0.747 . . . . 3.54 109.195 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.91 -46.82 88.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.439 -0.788 . . . . 0.5 109.615 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.93 -40.08 87.68 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.136 -0.977 . . . . 1.6599999999999999 109.659 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.15 -50.63 72.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 110.437 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -64.67 -39.98 94.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.007 . . . . 0.34000000000000002 109.521 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -54.37 -44.34 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.133 -0.979 . . . . 2.9399999999999999 108.668 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -48.11 83.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.062 -1.024 . . . . 1.74 108.513 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.02 -43.83 97.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.186 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 1.22 109.221 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -39.91 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.431 -0.793 . . . . 1.72 109.537 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.43 81.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 1.0700000000000001 109.73 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.93 -41.21 97.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 1.0800000000000001 109.6 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.97 -43.38 95.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.18 -0.95 . . . . 1.9099999999999999 109.613 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.99 -52.39 64.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.093 -1.004 . . . . 1.1499999999999999 109.236 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.5 -45.27 91.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.381 -0.824 . . . . 2.1400000000000001 109.77 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 66.1 m-20 -59.97 -40.11 87.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 1.4299999999999999 109.893 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.15 73.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 1.3 109.329 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.47 -0.769 . . . . 1.4199999999999999 109.664 -179.771 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.406 -0.59 . . . . 1.6100000000000001 109.406 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.55 141.94 39.71 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.457 -0.777 . . . . 0.96999999999999997 109.84 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -135.02 140.11 45.36 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.387 -0.82 . . . . 0.59999999999999998 109.456 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -89.09 155.28 19.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 1.1000000000000001 109.173 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.21 129.68 16.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.087 -1.008 . . . . 1.1000000000000001 109.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.48 127.98 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 1.3600000000000001 109.12 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -119.96 120.02 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.481 -0.762 . . . . 1.1699999999999999 110.231 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -75.57 145.39 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.462 -0.774 . . . . 2.79 109.903 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 122.21 0.95 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.134 -1.186 . . . . 0.47999999999999998 110.134 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' B' ' 17' ' ' ARG . 30.5 ttt-85 -67.13 -42.04 85.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -1.177 . . . . 3.2200000000000002 109.389 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.31 -41.68 93.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.025 -1.047 . . . . 2.21 108.92 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 39.0 ttm180 -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.537 -0.727 . . . . 3.5499999999999998 109.258 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.86 -47.03 87.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.512 -0.742 . . . . 0.52000000000000002 109.579 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -39.97 87.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.235 -0.916 . . . . 1.6799999999999999 109.554 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.07 -50.88 71.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.374 -0.829 . . . . 1.1499999999999999 110.272 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -64.36 -39.92 94.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.33000000000000002 109.593 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.61 -44.12 72.82 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.244 -0.91 . . . . 3.02 108.751 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -47.98 83.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 1.75 108.548 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.49 -43.8 96.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 1.0700000000000001 109.093 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.03 -49.85 76.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.359 -0.838 . . . . 1.21 109.182 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -39.99 90.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.5 -0.75 . . . . 1.6899999999999999 109.52 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 1.0600000000000001 109.7 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.55 -41.06 96.8 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.14 -0.975 . . . . 1.0800000000000001 109.582 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.01 -43.34 95.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.9299999999999999 109.511 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.16 -52.51 63.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.098 -1.001 . . . . 1.1399999999999999 109.218 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.4 -45.33 91.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.435 -0.791 . . . . 2.1899999999999999 109.832 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 64.7 m-20 -60.19 -40.16 89.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.897 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.99 73.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 1.3100000000000001 109.277 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.308 -0.87 . . . . 1.3999999999999999 109.63 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.213 -0.662 . . . . 2.1099999999999999 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -109.94 142.17 41.67 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.504 -0.748 . . . . 1.01 109.744 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.27 140.13 44.95 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.413 -0.804 . . . . 0.57999999999999996 109.567 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -89.19 155.0 19.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 1.1599999999999999 109.131 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.96 129.62 17.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.206 -0.934 . . . . 1.1699999999999999 109.192 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -85.24 128.08 34.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.884 . . . . 1.8100000000000001 109.079 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.06 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.487 -0.758 . . . . 1.1299999999999999 110.163 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -75.63 145.79 40.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 2.8199999999999998 109.62 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 122.68 0.96 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.052 -1.219 . . . . 0.45000000000000001 110.052 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' C' ' 17' ' ' ARG . 29.9 ttt-85 -68.05 -41.75 81.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -1.125 . . . . 3.0800000000000001 109.247 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.42 -41.71 94.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.037 -1.039 . . . . 2.54 108.873 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 4.1100000000000003 109.173 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.81 -46.7 88.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.56999999999999995 109.588 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.08 -40.03 88.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 109.556 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.1 -50.75 72.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 1.29 110.444 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.54 -40.0 94.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.997 -1.065 . . . . 0.40000000000000002 109.454 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -54.34 -44.58 72.23 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.937 . . . . 3.8500000000000001 108.779 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -47.97 83.65 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.116 -0.99 . . . . 1.78 108.582 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.11 -43.83 97.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 1.1699999999999999 109.124 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.317 -0.864 . . . . 1.2 109.238 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.472 -0.768 . . . . 2.1200000000000001 109.549 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.85 -48.71 80.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.395 -0.815 . . . . 1.0700000000000001 109.681 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.49 -40.96 96.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.186 -0.946 . . . . 1.1399999999999999 109.538 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 2.0899999999999999 109.561 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.13 -52.51 63.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.178 -0.951 . . . . 1.3799999999999999 109.292 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.25 -45.27 92.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 2.6800000000000002 109.778 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.54 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 62.5 m-20 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.848 . . . . 1.3400000000000001 109.824 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 1.3 109.369 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.287 -0.634 . . . . 1.6699999999999999 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.72 141.92 41.65 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.395 -0.816 . . . . 1.01 109.736 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.97 140.06 45.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.425 -0.797 . . . . 0.63 109.533 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.93 155.51 19.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 1.1299999999999999 109.14 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.46 128.85 15.88 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 1.1000000000000001 109.253 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -84.54 128.15 34.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 1.3700000000000001 109.165 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.99 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.368 -0.833 . . . . 1.1499999999999999 110.29 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -75.86 145.98 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.447 -0.783 . . . . 2.77 109.751 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.01 122.43 0.94 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.042 -1.223 . . . . 0.42999999999999999 110.042 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' D' ' 17' ' ' ARG . 30.9 ttt-85 -67.64 -42.37 82.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.244 . . . . 3.1200000000000001 109.062 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.21 -41.12 92.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 108.902 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 38.8 ttm180 -60.29 -39.99 88.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.78 . . . . 3.5 109.182 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.02 -46.91 87.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.484 -0.76 . . . . 0.5 109.561 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.01 -39.94 87.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.213 -0.93 . . . . 1.6899999999999999 109.689 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -60.15 -50.46 73.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.172 -0.955 . . . . 1.1399999999999999 110.281 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -64.74 -39.93 94.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.02 -1.05 . . . . 0.32000000000000001 109.608 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -54.66 -44.12 73.0 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.231 -0.918 . . . . 2.96 108.659 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.93 -48.06 83.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.157 -0.965 . . . . 1.75 108.597 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.45 -43.6 96.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 1.0800000000000001 109.216 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.98 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.331 -0.856 . . . . 1.22 109.201 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.04 90.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 1.73 109.466 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.59 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.331 -0.855 . . . . 1.0700000000000001 109.677 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.74 -41.1 97.21 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.247 -0.908 . . . . 1.1100000000000001 109.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.13 -43.32 95.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.5 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.05 -52.42 64.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 1.1699999999999999 109.321 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.57 -45.23 91.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.403 -0.81 . . . . 2.1499999999999999 109.781 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.527 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 65.8 m-20 -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.859 . . . . 1.4399999999999999 110.007 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.14 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 1.3 109.478 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.456 -0.777 . . . . 1.3999999999999999 109.664 -179.652 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.542 0.686 . . . . 1.7 109.591 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.38 147.25 23.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.566 -0.709 . . . . 1.04 109.524 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -137.48 140.85 41.45 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.37 -0.831 . . . . 0.65000000000000002 109.396 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.41 156.78 18.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 109.241 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -147.17 130.07 16.23 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.121 -0.987 . . . . 1.0900000000000001 109.223 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.46 128.86 34.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.479 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.45 119.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 1.1499999999999999 109.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.492 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 2.0 tmm_? -79.89 130.65 35.47 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 2.79 109.943 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.41 114.03 3.9 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 110.138 -1.185 . . . . 0.45000000000000001 110.138 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -60.11 -46.83 88.28 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.341 -1.094 . . . . 3.1600000000000001 109.254 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.99 -40.1 88.0 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 109.042 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' D' ' 25' ' ' GLU . 8.0 tpp180 -62.04 -40.02 94.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.426 -0.796 . . . . 3.54 109.114 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.11 -45.95 89.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.392 -0.818 . . . . 0.5 108.9 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.91 -40.79 90.01 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 108.874 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.9 ttp -62.14 -50.15 73.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 1.1499999999999999 109.297 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.92 -39.97 96.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.442 -0.786 . . . . 0.34000000000000002 109.387 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.47 -43.19 88.82 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.138 -0.976 . . . . 2.9399999999999999 108.48 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' D' ' 19' ' ' ARG . 88.3 tt0 -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.337 -0.852 . . . . 1.74 108.986 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.87 -43.47 98.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 1.0700000000000001 109.238 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.82 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.426 -0.797 . . . . 1.22 109.137 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.58 -40.02 93.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.549 -0.719 . . . . 1.72 109.988 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.32 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 109.523 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.38 -40.93 98.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.186 -0.946 . . . . 1.0800000000000001 109.608 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.16 -44.6 94.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.58 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.13 -49.99 75.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.157 -0.964 . . . . 1.1499999999999999 109.428 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -61.12 -40.06 92.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 2.1400000000000001 109.255 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD2' ' NH2' ' C' ' 15' ' ' ARG . 90.5 m-20 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 1.4299999999999999 109.623 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.67 88.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 1.3 109.423 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.961 . . . . 1.4199999999999999 109.723 -179.789 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.392 0.615 . . . . 1.6100000000000001 109.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.22 147.37 23.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.48 -0.762 . . . . 0.96999999999999997 109.538 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.54 141.13 41.4 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.331 -0.856 . . . . 0.59999999999999998 109.358 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 58.0 p -88.35 157.26 18.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.166 -0.959 . . . . 1.1000000000000001 109.173 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.41 130.08 16.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.17 -0.956 . . . . 1.1000000000000001 109.178 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' D' ' 9' ' ' TYR . 7.4 tt0 -84.39 128.39 34.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 1.3600000000000001 109.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.95 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.431 -0.793 . . . . 1.1699999999999999 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.505 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 1.9 tmm_? -79.54 131.45 36.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.3 -0.875 . . . . 2.79 109.815 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.56 114.32 3.94 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 110.326 -1.109 . . . . 0.47999999999999998 110.326 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.96 -47.2 86.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -1.097 . . . . 3.2200000000000002 109.265 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 2.21 109.14 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.501 ' NH1' ' OE2' ' C' ' 25' ' ' GLU . 8.7 tpp180 -61.91 -39.95 93.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.397 -0.815 . . . . 3.5499999999999998 108.945 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.07 -46.17 88.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.8 . . . . 0.52000000000000002 108.917 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 -40.12 87.75 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.722 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.48 -49.99 73.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.469 -0.769 . . . . 1.1499999999999999 109.388 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.23 -40.05 96.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.399 -0.813 . . . . 0.33000000000000002 109.487 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -58.32 -42.84 87.62 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.087 -1.008 . . . . 3.02 108.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.51 ' OE2' ' NH1' ' C' ' 19' ' ' ARG . 88.9 tt0 -60.07 -48.24 82.54 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.39 -0.819 . . . . 1.75 108.972 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.42 -43.63 98.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 1.0700000000000001 109.14 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -60.03 -47.91 83.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 1.21 109.283 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.45 -40.01 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.558 -0.714 . . . . 1.6899999999999999 110.1 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.8 -46.61 88.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.16 -0.963 . . . . 1.0600000000000001 109.562 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.71 -41.15 99.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 109.635 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.437 -0.789 . . . . 1.9299999999999999 109.595 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.04 -49.94 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 1.1399999999999999 109.382 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -61.14 -40.08 92.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 2.1899999999999999 109.336 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' NH2' ' D' ' 15' ' ' ARG . 86.8 m-20 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.639 -0.663 . . . . 1.4299999999999999 109.762 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.02 90.2 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.236 -0.915 . . . . 1.3100000000000001 109.532 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.102 -0.999 . . . . 1.3999999999999999 109.792 -179.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.416 0.627 . . . . 2.1099999999999999 109.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.77 147.27 23.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.348 -0.845 . . . . 1.01 109.498 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -137.23 141.53 42.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.403 -0.811 . . . . 0.57999999999999996 109.286 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 66.3 p -89.11 156.52 18.77 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 1.1599999999999999 109.185 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -146.78 129.96 16.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.066 -1.021 . . . . 1.1699999999999999 109.172 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.31 128.62 34.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.8100000000000001 109.373 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 120.04 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.514 -0.741 . . . . 1.1299999999999999 109.267 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.48 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 1.7 tmm_? -79.4 131.23 36.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.338 -0.851 . . . . 2.8199999999999998 109.766 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.88 114.26 3.94 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.48 -1.048 . . . . 0.45000000000000001 110.48 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.04 -47.12 87.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 3.0800000000000001 109.249 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.897 -1.127 . . . . 2.54 109.076 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.51 ' NH1' ' OE2' ' B' ' 25' ' ' GLU . 8.6 tpp180 -61.58 -40.08 93.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.432 -0.792 . . . . 4.1100000000000003 108.973 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.29 -46.29 88.96 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.448 -0.782 . . . . 0.56999999999999995 109.082 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.88 -40.1 87.54 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.174 -0.954 . . . . 1.6599999999999999 108.57 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.32 -49.87 73.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.33 -0.856 . . . . 1.29 109.349 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -63.64 -40.04 95.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.448 -0.782 . . . . 0.40000000000000002 109.43 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -58.34 -42.81 87.66 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.003 -1.06 . . . . 3.8500000000000001 108.517 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' B' ' 19' ' ' ARG . 89.0 tt0 -59.97 -48.39 81.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.287 -0.883 . . . . 1.78 108.969 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.12 -43.92 98.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 1.1699999999999999 109.259 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.53 85.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.427 -0.796 . . . . 1.2 109.255 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.76 -39.9 93.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.518 -0.739 . . . . 2.1200000000000001 109.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.79 88.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.549 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.52 -41.12 98.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.157 -0.964 . . . . 1.1399999999999999 109.667 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.23 -44.42 95.21 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 2.0899999999999999 109.673 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.14 -49.9 75.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 1.3799999999999999 109.175 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.57 -39.97 93.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.18 -0.95 . . . . 2.6800000000000002 109.212 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.492 ' OD2' ' NH2' ' A' ' 15' ' ' ARG . 89.8 m-20 -59.96 -40.12 87.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -0.77 . . . . 1.3400000000000001 109.657 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 1.3 109.644 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.447 0.642 . . . . 1.6699999999999999 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . 0.433 ' CD2' ' OE1' ' B' ' 13' ' ' GLN . 97.8 m-85 -96.18 146.67 24.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.423 -0.798 . . . . 1.01 109.544 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -136.81 141.35 42.89 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.407 -0.808 . . . . 0.63 109.439 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -88.57 157.23 18.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 1.1299999999999999 109.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.46 129.99 15.88 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.073 -1.017 . . . . 1.1000000000000001 109.163 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.39 128.85 34.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.491 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.12 119.97 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.459 -0.776 . . . . 1.1499999999999999 109.348 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . 0.521 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 1.8 tmm_? -79.73 130.75 35.61 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 2.77 109.914 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.94 114.58 3.98 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.281 -1.128 . . . . 0.42999999999999999 110.281 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.93 -47.34 86.18 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.463 -1.022 . . . . 3.1200000000000001 109.422 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.0 -40.13 88.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.908 -1.12 . . . . 2.2200000000000002 108.999 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.445 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 8.0 tpp180 -61.93 -39.95 93.84 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.329 -0.857 . . . . 3.5 109.009 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.02 -45.99 89.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.866 -0.79 . . . . 0.5 108.866 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 -40.39 88.82 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.187 -0.946 . . . . 1.6899999999999999 108.972 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.8 ttp -62.66 -50.0 72.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 1.1399999999999999 109.233 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.97 -40.02 96.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.807 . . . . 0.32000000000000001 109.437 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.67 -42.72 89.09 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.044 -1.035 . . . . 2.96 108.38 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 88.1 tt0 -60.18 -47.99 83.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.896 . . . . 1.75 108.936 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.39 -44.0 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 109.202 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.98 -47.32 86.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.406 -0.809 . . . . 1.22 109.354 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.95 -40.09 94.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 1.73 109.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -46.01 90.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 1.0700000000000001 109.651 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.57 -40.58 97.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.09 -1.006 . . . . 1.1100000000000001 109.339 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.14 -44.93 94.58 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.269 -0.894 . . . . 1.9099999999999999 109.78 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.216 -0.928 . . . . 1.1699999999999999 109.347 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.07 -40.19 92.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 2.1499999999999999 109.201 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.505 ' OD2' ' NH2' ' B' ' 15' ' ' ARG . 90.2 m-20 -59.89 -40.12 87.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.524 -0.735 . . . . 1.4399999999999999 109.655 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.06 89.1 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.266 -0.896 . . . . 1.3 109.501 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.272 -0.893 . . . . 1.3999999999999999 109.797 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.453 0.644 . . . . 1.7 109.734 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.9 146.61 24.44 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.558 -0.714 . . . . 1.04 109.373 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -136.33 140.83 43.61 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.28 -0.888 . . . . 0.65000000000000002 110.041 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -89.9 152.12 21.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.406 -0.809 . . . . 1.1399999999999999 109.082 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.56 130.47 20.48 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.16 -0.963 . . . . 1.0900000000000001 109.165 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -84.87 128.56 34.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 1.3700000000000001 109.328 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.02 124.38 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.521 -0.737 . . . . 1.1499999999999999 110.023 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -75.35 143.86 42.62 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.518 -0.738 . . . . 2.79 110.439 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.24 121.84 0.93 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.646 -0.982 . . . . 0.45000000000000001 110.646 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.9 ttt-85 -67.19 -42.74 83.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.375 -1.074 . . . . 3.1600000000000001 109.041 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -43.18 95.66 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.057 -1.027 . . . . 2.2200000000000002 108.451 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' D' ' 25' ' ' GLU . 10.3 tpp180 -60.41 -39.98 89.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.474 -0.766 . . . . 3.54 108.936 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.3 -45.23 88.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.5 108.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.46 -40.05 85.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.253 -0.904 . . . . 1.6599999999999999 108.633 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 29.7 ttp -62.52 -49.94 73.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.278 -0.889 . . . . 1.1499999999999999 109.301 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.81 -40.02 93.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.34000000000000002 109.207 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.79 -44.54 77.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.094 -1.004 . . . . 2.9399999999999999 108.586 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -47.95 83.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 1.74 109.388 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.25 -44.36 97.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.16 -0.963 . . . . 1.0700000000000001 109.397 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 1.22 109.279 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -39.86 91.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.45 -0.781 . . . . 1.72 109.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.98 78.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 1.0700000000000001 109.803 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.35 -41.59 98.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.07 -1.018 . . . . 1.0800000000000001 109.301 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.74 95.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.601 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.04 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 1.1499999999999999 109.216 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.7 -46.88 87.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 2.1400000000000001 109.319 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.978 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 1.3 109.955 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.034 -1.042 . . . . 1.4199999999999999 109.478 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.452 0.644 . . . . 1.6100000000000001 109.803 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.98 147.38 23.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.357 -0.839 . . . . 0.96999999999999997 109.429 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -136.84 141.53 42.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.271 -0.893 . . . . 0.59999999999999998 110.002 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -90.8 151.34 21.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.51 -0.744 . . . . 1.1000000000000001 109.085 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.73 130.28 21.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.267 -0.895 . . . . 1.1000000000000001 109.179 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.18 128.82 34.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 1.3600000000000001 109.242 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.42 124.19 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.553 -0.717 . . . . 1.1699999999999999 109.794 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -75.09 144.5 42.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.552 -0.717 . . . . 2.79 110.285 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.58 121.42 0.81 Allowed Glycine 0 N--CA 1.495 2.598 0 C-N-CA 120.396 -0.907 . . . . 0.47999999999999998 110.88 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 38.1 ttt-85 -66.82 -42.92 85.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 3.2200000000000002 109.174 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.91 -43.23 94.97 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.039 -1.038 . . . . 2.21 108.381 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.542 HH12 ' CD ' ' C' ' 25' ' ' GLU . 10.1 tpp180 -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.417 -0.802 . . . . 3.5499999999999998 108.985 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.43 -45.06 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.36 -0.838 . . . . 0.52000000000000002 109.06 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 99.3 mt-10 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.259 -0.901 . . . . 1.6799999999999999 108.572 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 28.2 ttp -62.2 -50.44 71.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.368 -0.833 . . . . 1.1499999999999999 109.305 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.67 -40.03 93.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.386 -0.821 . . . . 0.33000000000000002 109.189 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.6 -44.5 77.03 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.219 -0.925 . . . . 3.02 108.66 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.53 ' CD ' HH12 ' C' ' 19' ' ' ARG . 88.4 tt0 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.361 -0.837 . . . . 1.75 109.332 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.87 -44.33 97.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 1.0700000000000001 109.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.03 -50.05 75.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 1.21 109.324 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.01 -39.72 90.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.479 -0.763 . . . . 1.6899999999999999 109.931 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.33 77.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.159 -0.963 . . . . 1.0600000000000001 109.634 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.92 -41.65 98.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.014 . . . . 1.0800000000000001 109.352 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.77 95.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.299 -0.876 . . . . 1.9299999999999999 109.718 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.326 -0.858 . . . . 1.1399999999999999 109.203 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.64 -47.33 85.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.413 -0.805 . . . . 2.1899999999999999 109.352 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.95 -39.98 87.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.625 -0.672 . . . . 1.4299999999999999 110.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.08 95.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.885 . . . . 1.3100000000000001 109.768 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 1.3999999999999999 109.643 179.735 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.538 0.685 . . . . 2.1099999999999999 109.641 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -96.2 146.41 24.71 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.488 -0.758 . . . . 1.01 109.336 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -136.2 140.82 43.84 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.275 -0.891 . . . . 0.57999999999999996 109.964 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.84 154.09 20.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.847 . . . . 1.1599999999999999 108.998 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.19 129.91 18.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 1.1699999999999999 109.211 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.02 128.78 34.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 1.8100000000000001 109.433 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.16 124.29 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.521 -0.737 . . . . 1.1299999999999999 109.847 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.22 144.39 42.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.419 -0.8 . . . . 2.8199999999999998 110.252 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.57 121.91 0.84 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.728 -0.949 . . . . 0.45000000000000001 110.728 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' C' ' 17' ' ' ARG . 36.4 ttt-85 -67.25 -42.41 83.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -1.062 . . . . 3.0800000000000001 109.195 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.4 -43.15 96.94 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.321 -0.992 . . . . 2.54 108.321 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.53 HH12 ' CD ' ' B' ' 25' ' ' GLU . 9.9 tpp180 -60.35 -39.92 88.87 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.949 -0.76 . . . . 4.1100000000000003 108.949 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.0 -44.27 91.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.56999999999999995 108.979 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.93 -40.02 87.49 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.251 -0.906 . . . . 1.6599999999999999 108.566 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 28.9 ttp -62.52 -50.36 71.68 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.469 -0.769 . . . . 1.29 109.499 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.72 -39.96 93.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.395 -0.815 . . . . 0.40000000000000002 109.136 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.52 -44.59 76.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.183 -0.948 . . . . 3.8500000000000001 108.691 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . 0.542 ' CD ' HH12 ' B' ' 19' ' ' ARG . 88.5 tt0 -60.09 -48.18 82.81 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.354 -0.841 . . . . 1.78 109.338 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.92 -44.5 97.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 1.1699999999999999 109.331 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.92 -50.03 75.38 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.22 -0.925 . . . . 1.2 109.234 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.98 -40.04 91.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 2.1200000000000001 109.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.97 74.63 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 1.0700000000000001 109.609 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.33 -41.88 97.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.058 -1.026 . . . . 1.1399999999999999 109.381 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.54 94.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 2.0899999999999999 109.467 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 1.3799999999999999 109.257 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.71 -47.14 86.6 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.366 -0.834 . . . . 2.6800000000000002 109.259 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.97 -40.07 87.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.556 -0.715 . . . . 1.3400000000000001 110.01 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 1.3 110.011 -179.15 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.398 0.618 . . . . 1.6699999999999999 109.787 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.68 147.31 23.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.406 -0.809 . . . . 1.01 109.554 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.81 140.96 42.86 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.296 -0.877 . . . . 0.63 110.062 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.8 p -90.45 151.29 21.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.378 -0.826 . . . . 1.1299999999999999 109.069 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.52 130.53 21.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 1.1000000000000001 109.357 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.53 128.74 34.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.262 -0.899 . . . . 1.3700000000000001 109.257 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.33 123.96 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.488 -0.757 . . . . 1.1499999999999999 109.798 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -74.84 144.33 43.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.443 -0.786 . . . . 2.77 110.379 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.8 121.17 0.82 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.766 -0.934 . . . . 0.42999999999999999 110.766 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -66.52 -42.79 86.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.427 -1.043 . . . . 3.1200000000000001 109.24 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -43.24 95.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.107 -0.996 . . . . 2.2200000000000002 108.407 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -60.24 -40.05 88.87 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.014 -0.736 . . . . 3.5 109.014 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.55 -44.84 89.79 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.237 -0.915 . . . . 0.5 109.051 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -40.0 87.2 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 1.6899999999999999 108.627 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 29.2 ttp -62.35 -49.96 73.5 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.375 -0.828 . . . . 1.1399999999999999 109.35 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.87 -39.96 93.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.32000000000000001 109.224 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.94 -44.47 78.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.139 -0.976 . . . . 2.96 108.654 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' A' ' 19' ' ' ARG . 88.6 tt0 -59.95 -47.99 83.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.532 -0.73 . . . . 1.75 109.321 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.29 -44.45 97.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.184 -0.948 . . . . 1.0800000000000001 109.259 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.06 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 1.22 109.249 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -40.01 91.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.461 -0.774 . . . . 1.73 110.041 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.58 76.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.192 -0.942 . . . . 1.0700000000000001 109.63 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.84 -41.37 97.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.04 -1.037 . . . . 1.1100000000000001 109.499 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -42.73 96.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 1.1699999999999999 109.006 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.59 -47.3 86.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.839 . . . . 2.1499999999999999 109.49 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.07 -40.04 88.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.694 -0.629 . . . . 1.4399999999999999 110.045 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.97 94.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 1.3 109.88 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.16 -0.963 . . . . 1.3999999999999999 109.526 179.801 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.472 -0.566 . . . . 1.7 109.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.99 145.22 37.35 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.427 -0.796 . . . . 1.04 109.457 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.27 138.71 43.77 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.345 -0.847 . . . . 0.65000000000000002 109.292 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.37 157.08 18.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 1.1399999999999999 109.027 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -146.77 127.04 13.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.14 -0.975 . . . . 1.0900000000000001 109.359 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -84.6 128.86 34.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.657 -0.868 . . . . 1.3700000000000001 108.657 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.04 119.99 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.385 -0.822 . . . . 1.1499999999999999 109.681 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -77.5 138.03 38.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.606 -0.684 . . . . 2.79 110.011 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.71 124.74 2.35 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 110.04 -1.224 . . . . 0.45000000000000001 110.04 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 17' ' ' ARG . 14.1 ttt-85 -66.42 -42.45 87.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -1.161 . . . . 3.1600000000000001 109.71 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.19 91.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 2.2200000000000002 108.643 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.477 -0.764 . . . . 3.54 108.998 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.94 -49.06 79.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.5 109.554 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.55 -39.27 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.304 -0.873 . . . . 1.6599999999999999 109.119 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -59.96 -51.85 67.93 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 1.1499999999999999 110.167 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -67.08 -39.74 86.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.34000000000000002 109.652 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -55.16 -41.78 72.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.2 -0.937 . . . . 2.9399999999999999 108.546 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -49.47 77.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.222 -1.029 . . . . 1.74 108.222 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.4 -44.86 93.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.415 -0.803 . . . . 1.0700000000000001 109.536 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 1.22 109.474 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.463 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.9 tt0 -60.2 -39.94 88.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.369 -0.832 . . . . 1.72 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -46.62 88.37 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 109.253 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.72 -41.21 97.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 109.159 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.09 -42.5 94.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.2 -46.57 89.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 1.1499999999999999 108.793 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.505 -0.747 . . . . 2.1400000000000001 109.446 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.03 -40.05 83.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 1.4299999999999999 108.884 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.31 77.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.215 -0.928 . . . . 1.3 108.945 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.37 -0.831 . . . . 1.4199999999999999 109.239 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.453 -0.573 . . . . 1.6100000000000001 109.453 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -110.07 144.82 38.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.55 -0.719 . . . . 0.96999999999999997 109.332 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.04 138.52 43.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.34 -0.85 . . . . 0.59999999999999998 109.307 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.03 157.25 18.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.3 -0.875 . . . . 1.1000000000000001 109.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -146.69 127.39 14.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.145 -0.972 . . . . 1.1000000000000001 109.311 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.09 128.73 34.77 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.567 -0.901 . . . . 1.3600000000000001 108.567 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.0 120.06 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.46 -0.775 . . . . 1.1699999999999999 109.745 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -77.44 138.12 39.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.62 -0.675 . . . . 2.79 110.054 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.64 125.43 2.46 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.905 -1.278 . . . . 0.47999999999999998 109.905 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' B' ' 17' ' ' ARG . 14.2 ttt-85 -67.64 -41.73 83.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -1.165 . . . . 3.2200000000000002 109.604 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.99 -41.39 91.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.988 -1.07 . . . . 2.21 108.632 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.46 -39.93 89.36 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.486 -0.759 . . . . 3.5499999999999998 109.098 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -0.806 . . . . 0.52000000000000002 109.43 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.1 -39.31 78.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.192 -0.942 . . . . 1.6799999999999999 109.266 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 64.5 ttp -60.05 -51.59 68.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 110.023 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -67.33 -40.0 85.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.05 -1.031 . . . . 0.33000000000000002 109.762 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.79 -41.76 70.95 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.473 -0.936 . . . . 3.02 108.473 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -59.95 -49.88 75.95 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.284 -1.006 . . . . 1.75 108.284 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.32 -44.71 94.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.474 -0.766 . . . . 1.0700000000000001 109.481 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -60.05 -49.13 78.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 1.21 109.359 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -40.02 88.11 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 1.6899999999999999 109.246 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -46.64 88.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.296 -0.877 . . . . 1.0600000000000001 109.334 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.91 -41.33 97.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.093 -1.004 . . . . 1.0800000000000001 109.256 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -59.99 -42.23 93.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 1.9299999999999999 109.267 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.21 -46.41 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.309 -0.87 . . . . 1.1399999999999999 108.785 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.463 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 36.3 ttmt -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.478 -0.764 . . . . 2.1899999999999999 109.474 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.99 -39.93 83.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.876 . . . . 1.4299999999999999 108.933 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.24 77.16 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.244 -0.91 . . . . 1.3100000000000001 108.94 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.3999999999999999 109.313 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.396 -0.594 . . . . 2.1099999999999999 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -110.07 144.77 38.17 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.359 -0.838 . . . . 1.01 109.397 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.18 138.53 43.75 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.57999999999999996 109.321 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -88.1 156.77 19.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.354 -0.841 . . . . 1.1599999999999999 109.041 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -146.23 128.02 15.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.255 -0.903 . . . . 1.1699999999999999 109.15 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.63 128.69 34.84 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.574 -0.899 . . . . 1.8100000000000001 108.574 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -119.94 120.07 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.396 -0.815 . . . . 1.1299999999999999 109.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -77.16 138.07 39.26 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.611 -0.681 . . . . 2.8199999999999998 109.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.81 125.26 2.48 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 110.059 -1.217 . . . . 0.45000000000000001 110.059 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' C' ' 17' ' ' ARG . 14.9 ttt-85 -67.2 -42.11 84.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -1.145 . . . . 3.0800000000000001 109.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.11 -41.35 92.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 2.54 108.629 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.5 -39.97 89.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.991 -0.744 . . . . 4.1100000000000003 108.991 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -60.0 -48.71 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.493 -0.754 . . . . 0.56999999999999995 109.529 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.57 -39.43 80.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.188 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 64.8 ttp -59.97 -52.01 67.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.333 -0.854 . . . . 1.29 110.168 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.89 -39.53 87.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.104 -0.998 . . . . 0.40000000000000002 109.637 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -55.33 -41.88 73.06 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.205 -0.935 . . . . 3.8500000000000001 108.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' D' ' 33' ' ' LYS . 54.2 tp10 -59.99 -49.31 78.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.28 -1.007 . . . . 1.78 108.28 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.57 -44.74 93.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.43 -0.794 . . . . 1.1699999999999999 109.622 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.03 -49.34 78.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 1.2 109.313 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.211 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.67 88.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 109.195 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.64 -41.49 97.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.158 -0.963 . . . . 1.1399999999999999 109.197 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.16 -42.01 94.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 2.0899999999999999 109.431 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.56 -46.37 90.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.231 -0.918 . . . . 1.3799999999999999 108.66 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.11 -39.96 87.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.516 -0.74 . . . . 2.6800000000000002 109.43 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.16 -40.07 84.43 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.263 -0.898 . . . . 1.3400000000000001 108.926 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.238 -0.914 . . . . 1.3 109.001 179.355 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.535 -0.542 . . . . 1.6699999999999999 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.0 145.13 37.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.465 -0.772 . . . . 1.01 109.464 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.36 138.48 43.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.372 -0.83 . . . . 0.63 109.355 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -88.37 156.92 18.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.835 . . . . 1.1299999999999999 109.101 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -146.34 127.92 15.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.937 . . . . 1.1000000000000001 109.15 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.6 128.71 34.84 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.523 -0.917 . . . . 1.3700000000000001 108.523 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.03 119.97 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.335 -0.853 . . . . 1.1499999999999999 109.598 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -77.0 138.12 39.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 2.77 110.01 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.65 124.79 2.34 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.106 -1.198 . . . . 0.42999999999999999 110.106 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' D' ' 17' ' ' ARG . 13.6 ttt-85 -66.68 -42.32 86.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -1.151 . . . . 3.1200000000000001 109.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.45 92.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.013 -1.054 . . . . 2.2200000000000002 108.596 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.42 -40.05 89.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.413 -0.804 . . . . 3.5 109.119 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.0 -49.38 77.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.334 -0.854 . . . . 0.5 109.384 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.1 -39.24 78.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 1.6899999999999999 109.203 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.04 -51.54 69.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.32 -0.862 . . . . 1.1399999999999999 110.154 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -67.15 -40.09 86.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.32000000000000001 109.689 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.81 -41.91 71.22 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.209 -0.932 . . . . 2.96 108.52 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -59.96 -49.63 76.93 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.245 -1.021 . . . . 1.75 108.245 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.51 -44.47 94.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 1.0800000000000001 109.537 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.03 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 1.22 109.435 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -40.09 89.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.493 -0.754 . . . . 1.73 109.313 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.74 88.05 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 1.0700000000000001 109.195 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.67 -41.33 97.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 1.1100000000000001 109.231 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.98 -42.06 93.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.335 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.63 -46.43 90.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 1.1699999999999999 108.582 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' C' ' 25' ' ' GLU . 36.3 ttmt -60.04 -39.85 87.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.592 -0.693 . . . . 2.1499999999999999 109.443 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.3 -39.92 84.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 1.4399999999999999 108.974 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.92 76.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.169 -0.957 . . . . 1.3 108.899 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.3999999999999999 109.281 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.433 0.635 . . . . 1.7 109.889 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.59 145.84 24.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.346 -0.847 . . . . 1.04 108.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.98 141.73 47.39 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.22 -0.925 . . . . 0.65000000000000002 109.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.7 p -89.23 156.42 18.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.877 . . . . 1.1399999999999999 108.776 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -147.09 130.91 17.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.082 -1.011 . . . . 1.0900000000000001 109.22 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.74 127.89 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 1.3700000000000001 109.606 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.97 119.94 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.521 -0.737 . . . . 1.1499999999999999 109.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.8 145.98 38.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.376 -0.827 . . . . 2.79 110.435 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 125.52 0.63 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.427 -1.069 . . . . 0.45000000000000001 110.427 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.46 -40.01 89.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -1.071 . . . . 3.1600000000000001 109.116 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.0 -40.96 91.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.09 -1.007 . . . . 2.2200000000000002 109.048 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.87 -39.96 93.71 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.639 -0.874 . . . . 3.54 108.639 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.06 -45.61 92.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.366 -0.834 . . . . 0.5 109.213 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -41.8 92.82 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 108.615 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 ttp -62.09 -49.94 73.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.38 -0.825 . . . . 1.1499999999999999 109.08 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.5 -39.97 92.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.433 -0.792 . . . . 0.34000000000000002 109.075 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -54.52 -47.41 73.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 2.9399999999999999 108.797 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.72 88.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 1.74 108.883 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.68 -45.55 92.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 1.0700000000000001 109.121 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.04 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.811 . . . . 1.22 109.642 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.75 -39.95 95.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.369 -0.832 . . . . 1.72 109.534 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.96 75.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.0700000000000001 109.669 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.28 -41.69 98.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.112 -0.993 . . . . 1.0800000000000001 109.613 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.15 -40.83 95.34 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.07 -1.019 . . . . 1.9099999999999999 109.045 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.26 -46.52 89.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.324 -0.86 . . . . 1.1499999999999999 108.856 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -59.98 -40.04 87.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.417 -0.802 . . . . 2.1400000000000001 109.386 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.97 -39.91 87.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.342 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.66 76.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.151 -0.968 . . . . 1.3 109.32 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 1.4199999999999999 109.442 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.347 0.594 . . . . 1.6100000000000001 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -95.35 145.58 25.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.287 -0.883 . . . . 0.96999999999999997 109.169 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.91 141.14 47.22 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.38 -0.825 . . . . 0.59999999999999998 109.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -88.77 156.11 19.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.367 -0.833 . . . . 1.1000000000000001 108.833 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -146.61 131.5 18.1 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.995 -1.065 . . . . 1.1000000000000001 109.363 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.31 128.01 34.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.3600000000000001 109.438 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.03 121.05 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.526 -0.734 . . . . 1.1699999999999999 109.345 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -77.88 145.77 36.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 2.79 110.58 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 125.86 0.68 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.38 -1.088 . . . . 0.47999999999999998 110.38 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.57 -39.93 88.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -1.056 . . . . 3.2200000000000002 109.201 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.01 -40.87 90.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 2.21 109.079 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 44.0 ttm180 -61.98 -40.07 94.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.612 -0.885 . . . . 3.5499999999999998 108.612 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.332 -0.855 . . . . 0.52000000000000002 109.312 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.86 -41.43 91.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.192 -0.943 . . . . 1.6799999999999999 108.662 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.9 ttp -62.4 -49.95 73.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.401 -0.812 . . . . 1.1499999999999999 108.901 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.46 -40.01 92.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.455 -0.778 . . . . 0.33000000000000002 109.146 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.46 -47.31 73.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 3.02 108.865 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -46.9 87.98 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.349 -0.844 . . . . 1.75 108.936 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.59 -45.66 91.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.292 -0.88 . . . . 1.0700000000000001 109.051 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.97 -50.07 75.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.433 -0.792 . . . . 1.21 109.533 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.7 -40.0 95.78 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.612 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.83 76.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 1.0600000000000001 109.658 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.05 -42.31 99.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.098 -1.001 . . . . 1.0800000000000001 109.57 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.56 -40.59 92.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.083 -1.011 . . . . 1.9299999999999999 109.146 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.44 -46.62 89.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 1.1399999999999999 108.705 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.94 -40.02 87.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 2.1899999999999999 109.475 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.94 -40.09 87.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.872 . . . . 1.4299999999999999 109.489 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.21 77.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.286 -0.884 . . . . 1.3100000000000001 109.227 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.263 -0.898 . . . . 1.3999999999999999 109.539 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.38 0.61 . . . . 2.1099999999999999 109.883 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.82 145.67 25.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.395 -0.815 . . . . 1.01 109.052 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -133.62 141.48 47.66 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.258 -0.901 . . . . 0.57999999999999996 110.034 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.2 p -88.71 155.5 19.55 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.776 -0.824 . . . . 1.1599999999999999 108.776 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.45 131.77 18.54 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 1.1699999999999999 109.252 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.61 127.98 34.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.325 -0.859 . . . . 1.8100000000000001 109.57 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.04 120.06 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.443 -0.785 . . . . 1.1299999999999999 109.551 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.99 146.17 37.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.347 -0.846 . . . . 2.8199999999999998 110.381 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.92 125.25 0.65 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.424 -1.07 . . . . 0.45000000000000001 110.424 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.33 -39.94 89.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.394 -1.062 . . . . 3.0800000000000001 109.144 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.02 -40.62 89.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 2.54 109.203 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.17 -40.02 94.59 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.174 -0.954 . . . . 4.1100000000000003 108.574 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.11 -45.56 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.371 -0.831 . . . . 0.56999999999999995 109.167 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.22 -0.925 . . . . 1.6599999999999999 108.668 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 31.3 ttp -62.06 -50.07 73.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.293 -0.879 . . . . 1.29 109.015 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.41 -0.807 . . . . 0.40000000000000002 109.116 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -54.4 -47.17 73.04 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.18 -0.95 . . . . 3.8500000000000001 108.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -46.95 87.86 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.373 -0.83 . . . . 1.78 108.913 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.69 -45.44 92.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 1.1699999999999999 109.017 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.08 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.422 -0.799 . . . . 1.2 109.466 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.64 -39.94 95.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.398 -0.814 . . . . 2.1200000000000001 109.674 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 1.0700000000000001 109.666 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -41.84 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.192 -0.942 . . . . 1.1399999999999999 109.628 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.25 -40.38 93.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.148 -0.97 . . . . 2.0899999999999999 109.031 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.39 -46.86 88.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 1.3799999999999999 108.759 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.455 -0.778 . . . . 2.6800000000000002 109.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.881 . . . . 1.3400000000000001 109.374 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.323 -0.861 . . . . 1.3 109.133 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.341 0.591 . . . . 1.6699999999999999 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.49 145.53 25.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.415 -0.803 . . . . 1.01 109.047 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.65 141.34 47.57 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.296 -0.877 . . . . 0.63 109.935 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.64 156.32 19.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.303 -0.873 . . . . 1.1299999999999999 108.76 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -147.05 131.21 17.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 1.1000000000000001 109.253 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -84.13 127.72 34.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 1.3700000000000001 109.648 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 119.99 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.506 -0.746 . . . . 1.1499999999999999 109.346 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.84 145.99 38.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.322 -0.861 . . . . 2.77 110.402 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 124.81 0.62 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.509 -1.036 . . . . 0.42999999999999999 110.509 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -66.0 -40.01 90.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -1.081 . . . . 3.1200000000000001 109.133 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.04 -40.58 89.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 2.2200000000000002 109.15 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -62.21 -39.98 94.58 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.195 -0.94 . . . . 3.5 108.534 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -45.41 93.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.366 -0.834 . . . . 0.5 109.291 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -42.02 93.37 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 108.571 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 29.8 ttp -62.09 -49.96 73.86 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.448 -0.782 . . . . 1.1399999999999999 109.042 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.32 -39.93 92.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.32000000000000001 109.242 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.56 -47.23 73.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 2.96 108.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.87 -47.2 86.72 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.35 -0.844 . . . . 1.75 108.96 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.73 -45.36 93.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 1.0800000000000001 108.979 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.98 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.386 -0.821 . . . . 1.22 109.464 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -62.86 -40.03 96.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.469 -0.769 . . . . 1.73 109.684 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.76 76.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.757 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.23 -41.76 98.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.143 -0.973 . . . . 1.1100000000000001 109.63 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.7 -41.24 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.176 -0.953 . . . . 1.9099999999999999 109.094 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -46.4 89.68 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.744 -0.835 . . . . 1.1699999999999999 108.744 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -60.04 -39.97 87.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 2.1499999999999999 109.328 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.3 m-20 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.293 -0.879 . . . . 1.4399999999999999 109.584 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.32 75.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.242 -0.912 . . . . 1.3 109.321 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 1.3999999999999999 109.422 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 40.9 mp0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.345 -0.613 . . . . 1.7 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -94.15 142.98 26.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.318 -0.864 . . . . 1.04 109.594 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.08 139.57 43.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.448 -0.783 . . . . 0.65000000000000002 109.586 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -89.71 152.73 21.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 108.799 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -147.64 130.18 15.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.987 -1.071 . . . . 1.0900000000000001 109.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.6 129.27 34.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 108.732 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.86 120.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.382 -0.824 . . . . 1.1499999999999999 110.007 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -78.22 141.85 38.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 2.79 110.388 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.27 126.16 2.17 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.53 -1.028 . . . . 0.45000000000000001 110.53 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -66.97 -39.97 87.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.449 -1.03 . . . . 3.1600000000000001 109.429 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.67 91.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.44 -0.948 . . . . 2.2200000000000002 108.44 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.3 -42.37 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.429 -0.794 . . . . 3.54 108.911 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.97 -49.87 75.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.5 109.105 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.02 -41.63 92.62 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.171 -0.955 . . . . 1.6599999999999999 108.596 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 62.9 ttp -63.32 -50.0 71.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.441 -0.787 . . . . 1.1499999999999999 109.432 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.73 -41.82 99.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.427 -0.796 . . . . 0.34000000000000002 109.21 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.78 -43.72 90.5 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.318 -0.864 . . . . 2.9399999999999999 109.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.96 -47.55 85.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 1.74 109.446 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.16 -42.57 99.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.614 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.15 -0.969 . . . . 1.22 109.141 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.22 -40.05 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 1.72 109.702 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.58 81.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -0.902 . . . . 1.0700000000000001 109.617 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.43 -43.37 98.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 1.0800000000000001 109.062 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -42.06 94.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.193 -0.942 . . . . 1.9099999999999999 108.878 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -49.15 78.79 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.749 -0.834 . . . . 1.1499999999999999 108.749 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.96 -38.99 84.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 2.1400000000000001 109.286 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.83 -39.98 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.858 . . . . 1.4299999999999999 109.204 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 1.3 108.486 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.43 -0.794 . . . . 1.4199999999999999 108.905 179.177 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 39.8 mp0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.317 0.58 . . . . 1.6100000000000001 109.49 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.96 144.04 25.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.96999999999999997 109.575 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -137.35 139.26 40.7 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.355 -0.841 . . . . 0.59999999999999998 109.561 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -89.32 152.97 21.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.309 -0.869 . . . . 1.1000000000000001 108.964 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 tp -147.8 130.62 16.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.119 -0.988 . . . . 1.1000000000000001 109.374 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.96 129.37 34.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 108.781 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.81 120.01 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.452 -0.78 . . . . 1.1699999999999999 110.015 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.45 142.63 37.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.397 -0.815 . . . . 2.79 110.206 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 125.4 1.84 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.629 -0.988 . . . . 0.47999999999999998 110.629 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.43 -39.9 89.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -1.077 . . . . 3.2200000000000002 109.379 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -45.23 93.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.133 -0.979 . . . . 2.21 108.502 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.66 -42.39 96.93 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.809 -0.811 . . . . 3.5499999999999998 108.809 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.01 -49.72 76.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.52000000000000002 109.228 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.93 -41.62 92.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.095 -1.003 . . . . 1.6799999999999999 108.481 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.42 -50.01 71.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.33 -0.856 . . . . 1.1499999999999999 109.5 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.98 -40.94 99.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.33000000000000002 109.128 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -59.3 -44.07 92.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.316 -0.865 . . . . 3.02 109.001 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -47.3 86.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 1.75 109.573 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.21 -42.46 99.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.105 -0.997 . . . . 1.0700000000000001 109.522 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 1.21 109.217 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.39 -39.97 94.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.545 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.09 79.03 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.912 . . . . 1.0600000000000001 109.606 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 1.0800000000000001 108.955 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -42.07 93.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 108.877 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 -49.14 78.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 1.1399999999999999 108.861 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -60.01 -38.92 84.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.765 . . . . 2.1899999999999999 109.252 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.6 m-20 -58.62 -40.01 82.11 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.319 -0.863 . . . . 1.4299999999999999 109.329 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.99 96.07 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.083 -1.011 . . . . 1.3100000000000001 108.647 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.374 -0.829 . . . . 1.3999999999999999 108.793 179.191 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 39.9 mp0 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.361 0.601 . . . . 2.1099999999999999 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.01 143.35 26.43 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.444 -0.785 . . . . 1.01 109.632 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -137.08 139.42 41.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.499 -0.751 . . . . 0.57999999999999996 109.471 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -89.19 153.16 21.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.35 -0.844 . . . . 1.1599999999999999 109.041 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -148.15 130.03 15.24 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.02 -1.05 . . . . 1.1699999999999999 109.417 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.45 129.28 34.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.86 . . . . 1.8100000000000001 108.785 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.76 120.04 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.516 -0.74 . . . . 1.1299999999999999 110.12 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.18 37.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.401 -0.812 . . . . 2.8199999999999998 110.274 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.1 126.18 2.12 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.562 -1.015 . . . . 0.45000000000000001 110.562 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -66.83 -40.08 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 3.0800000000000001 109.278 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.74 91.76 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.6 -0.889 . . . . 2.54 108.6 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.06 -42.48 94.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.823 -0.806 . . . . 4.1100000000000003 108.823 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.01 -49.94 75.68 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.251 -0.906 . . . . 0.56999999999999995 109.132 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -42.03 93.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.128 -0.982 . . . . 1.6599999999999999 108.368 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.6 ttp -62.72 -50.09 72.47 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.478 -0.764 . . . . 1.29 109.574 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.03 -40.81 98.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.40000000000000002 109.238 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -59.32 -44.03 92.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.301 -0.874 . . . . 3.8500000000000001 109.033 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.35 86.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.407 -0.808 . . . . 1.78 109.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.33 -42.13 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 1.1699999999999999 109.508 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 1.2 109.103 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.36 -40.05 95.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.469 -0.77 . . . . 2.1200000000000001 109.669 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.84 76.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 109.423 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.28 -43.72 95.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 109.104 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -41.62 92.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.136 -0.977 . . . . 2.0899999999999999 108.858 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.21 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.398 -0.814 . . . . 1.3799999999999999 108.915 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.94 -38.9 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 2.6800000000000002 109.274 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.8 -39.96 82.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 1.3400000000000001 109.114 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.105 -0.997 . . . . 1.3 108.573 179.279 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 39.5 mp0 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.363 0.602 . . . . 1.6699999999999999 109.385 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.06 143.58 26.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 1.01 109.475 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -137.01 139.87 41.71 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.399 -0.813 . . . . 0.63 109.544 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.74 152.98 21.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 1.1299999999999999 109.017 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.09 130.65 15.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.05 . . . . 1.1000000000000001 109.492 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.91 129.49 34.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 1.3700000000000001 108.676 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.98 119.99 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.404 -0.81 . . . . 1.1499999999999999 109.971 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.99 37.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.77 110.162 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.24 125.67 1.79 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.654 -0.978 . . . . 0.42999999999999999 110.654 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -66.52 -40.02 88.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.415 -1.05 . . . . 3.1200000000000001 109.426 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -45.51 92.47 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 2.2200000000000002 108.475 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.404 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -60.43 -42.5 96.17 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.44 -0.787 . . . . 3.5 108.928 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.97 -49.59 77.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.16 -0.963 . . . . 0.5 109.119 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -42.34 93.56 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.414 -0.958 . . . . 1.6899999999999999 108.414 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -62.67 -49.93 73.19 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.547 -0.721 . . . . 1.1399999999999999 109.652 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.23 -40.72 98.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.32000000000000001 109.125 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.48 -43.87 93.18 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.247 -0.908 . . . . 2.96 109.066 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.07 -47.35 86.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.399 -0.813 . . . . 1.75 109.351 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -42.29 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 1.0800000000000001 109.684 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.0 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.147 -0.971 . . . . 1.22 109.216 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.57 -39.97 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.506 -0.746 . . . . 1.73 109.647 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -49.79 76.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 109.333 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.28 -43.85 95.85 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.161 -0.962 . . . . 1.1100000000000001 109.163 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.96 -41.96 93.06 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 1.9099999999999999 108.874 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -49.07 79.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.304 -0.873 . . . . 1.1699999999999999 108.82 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.94 -39.11 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.459 -0.776 . . . . 2.1499999999999999 109.232 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.92 -40.0 83.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.391 -0.818 . . . . 1.4399999999999999 109.316 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.1 96.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 1.3 108.357 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.887 -0.783 . . . . 1.3999999999999999 108.887 179.261 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.541 -0.54 . . . . 1.7 109.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.28 147.57 30.08 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.441 -0.787 . . . . 1.04 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -134.7 137.31 43.43 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.325 -0.859 . . . . 0.65000000000000002 109.696 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -89.72 154.12 20.18 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.601 -0.889 . . . . 1.1399999999999999 108.601 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.12 132.99 18.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.925 -1.11 . . . . 1.0900000000000001 109.224 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.457 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.6 tt0 -84.23 128.8 34.8 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.272 -1.01 . . . . 1.3700000000000001 108.272 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.94 120.06 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.31 -0.869 . . . . 1.1499999999999999 109.468 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.09 148.52 36.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.492 -0.755 . . . . 2.79 110.028 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.35 125.21 0.71 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.65 -0.98 . . . . 0.45000000000000001 110.65 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.74 -41.19 88.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -1.118 . . . . 3.1600000000000001 109.135 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.1 -42.06 93.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 2.2200000000000002 109.148 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.4 ttm180 -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.287 -0.883 . . . . 3.54 109.072 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.94 -49.5 77.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.437 -0.79 . . . . 0.5 109.057 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.03 -40.89 90.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.6599999999999999 108.597 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.4 ttp -62.93 -49.26 75.47 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.423 -0.798 . . . . 1.1499999999999999 108.993 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.51 -40.09 95.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.854 . . . . 0.34000000000000002 108.924 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.11 -44.6 91.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.293 -0.879 . . . . 2.9399999999999999 109.115 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.09 83.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.192 -0.943 . . . . 1.74 109.059 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.51 -44.64 96.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 1.0700000000000001 108.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.261 -0.899 . . . . 1.22 109.254 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.11 -41.06 96.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.206 -0.934 . . . . 1.72 109.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.93 75.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 1.0700000000000001 109.658 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.8 -41.69 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.359 -0.838 . . . . 1.0800000000000001 109.525 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.04 -40.86 90.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -0.982 . . . . 1.9099999999999999 109.283 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.07 -48.85 79.99 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.266 -0.896 . . . . 1.1499999999999999 109.083 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.356 -0.84 . . . . 2.1400000000000001 109.422 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.56 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 99.2 m-20 -59.67 -39.17 83.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -0.789 . . . . 1.4299999999999999 109.593 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.74 86.76 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.274 -0.891 . . . . 1.3 108.889 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.114 -0.991 . . . . 1.4199999999999999 109.523 179.608 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.523 -0.547 . . . . 1.6100000000000001 109.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . 0.415 ' CB ' HE21 ' D' ' 13' ' ' GLN . 95.7 m-85 -107.61 147.12 31.06 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.602 -0.686 . . . . 0.96999999999999997 109.174 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -134.65 137.28 43.48 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.263 -0.898 . . . . 0.59999999999999998 109.967 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -89.66 153.58 20.62 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.641 -0.874 . . . . 1.1000000000000001 108.641 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.92 132.58 17.85 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.036 -1.04 . . . . 1.1000000000000001 109.515 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -83.63 129.04 34.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 1.3600000000000001 108.509 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.02 120.0 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.41 -0.806 . . . . 1.1699999999999999 109.419 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.11 149.04 35.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.432 -0.792 . . . . 2.79 110.008 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 125.41 0.65 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.65 -0.98 . . . . 0.47999999999999998 110.65 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.75 -41.21 88.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -1.079 . . . . 3.2200000000000002 109.129 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 2.21 109.202 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.7 ttm180 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.331 -0.856 . . . . 3.5499999999999998 108.972 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.93 -49.62 76.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.536 -0.728 . . . . 0.52000000000000002 109.05 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.91 -41.39 91.59 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 1.6799999999999999 108.34 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.47 -0.769 . . . . 1.1499999999999999 109.105 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.27 -39.99 94.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.42 -0.8 . . . . 0.33000000000000002 108.979 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.11 -44.44 91.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 3.02 109.092 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.29 82.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.253 -0.904 . . . . 1.75 108.996 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.53 -44.42 97.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.054 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.239 -0.913 . . . . 1.21 109.032 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.95 -41.28 96.01 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.313 -0.867 . . . . 1.6899999999999999 109.453 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 1.0600000000000001 109.754 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 1.0800000000000001 109.509 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.2 -40.6 90.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.378 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.25 -48.88 79.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.343 -0.848 . . . . 1.1399999999999999 109.104 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.401 -0.812 . . . . 2.1899999999999999 109.356 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.5 m-20 -59.65 -39.07 83.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 1.4299999999999999 109.431 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.331 -0.855 . . . . 1.3100000000000001 109.173 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.3999999999999999 109.442 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.561 -0.533 . . . . 2.1099999999999999 109.561 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . 0.457 ' CB ' HE21 ' A' ' 13' ' ' GLN . 97.5 m-85 -107.26 147.26 30.43 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.432 -0.793 . . . . 1.01 109.125 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.57 136.67 43.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.279 -0.888 . . . . 0.57999999999999996 109.929 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -89.37 153.75 20.61 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.653 -0.869 . . . . 1.1599999999999999 108.653 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.97 132.83 18.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.896 -1.127 . . . . 1.1699999999999999 109.335 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -83.85 128.94 34.9 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.308 -0.997 . . . . 1.8100000000000001 108.308 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -119.98 119.98 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.36 -0.838 . . . . 1.1299999999999999 109.544 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -77.39 148.81 35.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.394 -0.816 . . . . 2.8199999999999998 110.375 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.22 125.03 0.68 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.463 -1.055 . . . . 0.45000000000000001 110.463 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.49 -40.99 89.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -1.137 . . . . 3.0800000000000001 109.175 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.03 -42.43 94.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 2.54 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.56 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 41.7 ttm180 -60.73 -40.12 91.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.245 -0.91 . . . . 4.1100000000000003 108.952 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.97 -49.64 76.88 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.874 -0.787 . . . . 0.56999999999999995 108.874 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.98 -41.41 91.96 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.376 -0.972 . . . . 1.6599999999999999 108.376 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -62.17 -49.85 74.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.476 -0.765 . . . . 1.29 109.042 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.2 -40.09 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.412 -0.805 . . . . 0.40000000000000002 109.005 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -58.74 -44.73 90.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.353 -0.842 . . . . 3.8500000000000001 109.203 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -48.05 83.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.255 -0.903 . . . . 1.78 109.048 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 1.1699999999999999 109.032 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.98 -49.99 75.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 1.2 109.236 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.77 -41.1 94.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 2.1200000000000001 109.427 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 109.859 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.74 -41.89 98.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.394 -0.816 . . . . 1.1399999999999999 109.464 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.02 -40.53 89.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.955 . . . . 2.0899999999999999 109.406 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.26 -48.93 79.65 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.88 . . . . 1.3799999999999999 109.159 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -0.795 . . . . 2.6800000000000002 109.421 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 99.7 m-20 -59.74 -39.32 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.3400000000000001 109.471 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 121.166 -0.959 . . . . 1.3 108.876 -179.805 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.633 -0.506 . . . . 1.6699999999999999 109.633 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -107.66 147.54 30.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.505 -0.747 . . . . 1.01 109.123 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.97 136.17 42.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.329 -0.857 . . . . 0.63 109.955 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.95 152.85 21.47 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.576 -0.898 . . . . 1.1299999999999999 108.576 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -147.16 133.07 19.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.933 -1.104 . . . . 1.1000000000000001 109.356 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . 0.415 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.9 tt0 -84.32 129.13 34.9 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.381 -0.97 . . . . 1.3700000000000001 108.381 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.04 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.393 -0.817 . . . . 1.1499999999999999 109.499 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -77.18 148.22 36.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.539 -0.726 . . . . 2.77 110.131 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 124.82 0.7 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.561 -1.016 . . . . 0.42999999999999999 110.561 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.02 -41.49 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -1.164 . . . . 3.1200000000000001 109.159 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.01 -42.22 93.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.148 -0.97 . . . . 2.2200000000000002 109.15 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.517 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 41.7 ttm180 -60.78 -40.04 91.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.232 -0.917 . . . . 3.5 108.933 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.93 -49.86 76.02 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.484 -0.76 . . . . 0.5 109.079 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.87 -41.36 91.34 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.44 -0.948 . . . . 1.6899999999999999 108.44 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.96 -50.06 73.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.489 -0.757 . . . . 1.1399999999999999 108.961 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.02 -40.06 94.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.348 -0.845 . . . . 0.32000000000000001 109.023 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.02 -44.36 91.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.313 -0.867 . . . . 2.96 109.11 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.0 -48.69 80.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.892 . . . . 1.75 109.058 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.03 -44.65 97.09 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.187 -0.945 . . . . 1.0800000000000001 109.104 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.349 -0.844 . . . . 1.22 109.225 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.88 -41.1 95.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.301 -0.874 . . . . 1.73 109.329 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 109.713 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.93 -41.76 98.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 1.1100000000000001 109.502 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.1 -40.95 91.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.957 . . . . 1.9099999999999999 109.322 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.13 -48.86 79.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 1.1699999999999999 109.099 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -60.0 -39.93 87.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 2.1499999999999999 109.466 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.511 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.6 m-20 -59.58 -39.1 83.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 1.4399999999999999 109.639 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.56 86.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.18 -0.95 . . . . 1.3 109.003 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.141 -0.975 . . . . 1.3999999999999999 109.451 179.758 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.366 -0.605 . . . . 1.7 109.366 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.0 140.05 38.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.774 . . . . 1.04 109.806 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -134.39 139.89 45.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.65000000000000002 109.174 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 p -87.85 158.16 18.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.86 . . . . 1.1399999999999999 108.77 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.8 126.94 12.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 1.0900000000000001 109.413 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.01 34.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 1.3700000000000001 108.399 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 119.95 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.424 -0.797 . . . . 1.1499999999999999 109.393 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.33 149.49 33.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 2.79 110.101 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 117.6 0.91 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.03 -1.228 . . . . 0.45000000000000001 110.03 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 46.4 ttt-85 -62.45 -41.57 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -1.1 . . . . 3.1600000000000001 109.514 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.12 -40.56 90.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 2.2200000000000002 109.774 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -63.44 -39.93 95.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 3.54 109.582 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.22 -49.69 76.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.5 109.387 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 17' ' ' ARG . 98.8 mt-10 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.097 -1.002 . . . . 1.6599999999999999 108.779 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.2 ttp -62.93 -52.13 64.24 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 109.448 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.08 -42.35 99.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.271 -0.893 . . . . 0.34000000000000002 108.88 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.593 -0.891 . . . . 2.9399999999999999 108.593 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.08 -49.72 76.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -0.832 . . . . 1.74 108.852 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.4 -45.15 94.62 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.925 . . . . 1.0700000000000001 108.501 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.94 -49.88 75.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.798 . . . . 1.22 109.193 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -39.9 93.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.502 -0.749 . . . . 1.72 109.829 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.52 86.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.29 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.45 -41.21 98.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.104 -0.997 . . . . 1.0800000000000001 108.865 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.22 -42.9 96.18 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.26 -0.9 . . . . 1.9099999999999999 108.916 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.15 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.498 -0.751 . . . . 1.1499999999999999 109.437 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.4 -43.64 98.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 2.1400000000000001 109.297 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.47 -0.769 . . . . 1.4299999999999999 110.01 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -0.937 . . . . 1.3 109.642 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.237 -0.915 . . . . 1.4199999999999999 109.907 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.49 -0.559 . . . . 1.6100000000000001 109.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.84 140.27 38.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.424 -0.798 . . . . 0.96999999999999997 109.88 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -134.77 139.28 45.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.431 -0.793 . . . . 0.59999999999999998 109.204 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.3 p -87.53 157.58 19.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 1.1000000000000001 108.671 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 tp -147.45 126.84 13.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.955 -1.091 . . . . 1.1000000000000001 109.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.4 34.45 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.242 -1.021 . . . . 1.3600000000000001 108.242 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.06 120.09 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 1.1699999999999999 109.346 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.1 149.33 33.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.426 -0.796 . . . . 2.79 109.928 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.97 117.33 0.95 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.134 -1.187 . . . . 0.47999999999999998 110.134 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.44 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 45.3 ttt-85 -61.93 -42.29 98.94 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -1.175 . . . . 3.2200000000000002 109.684 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.12 -40.24 89.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.933 . . . . 2.21 109.726 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.6 ttm180 -63.65 -39.87 95.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.933 . . . . 3.5499999999999998 109.664 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.13 -49.79 75.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.849 . . . . 0.52000000000000002 109.165 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.7 mt-10 -59.82 -40.76 89.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.071 -1.018 . . . . 1.6799999999999999 108.957 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 33.6 ttp -63.03 -51.46 66.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 1.1499999999999999 109.375 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -63.79 -42.71 97.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.33000000000000002 108.901 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.57 -43.43 93.6 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.28 -0.888 . . . . 3.02 108.645 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -49.51 77.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 1.75 108.822 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.0 -44.8 96.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.158 -0.963 . . . . 1.0700000000000001 108.541 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.34 -49.96 75.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.815 . . . . 1.21 109.223 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.549 -0.719 . . . . 1.6899999999999999 109.629 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -46.87 87.31 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.166 -0.959 . . . . 1.0600000000000001 109.409 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.75 -41.31 97.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 1.0800000000000001 108.755 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.69 94.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.9299999999999999 109.063 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.27 -50.08 75.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 1.1399999999999999 109.462 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.24 -43.95 98.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 2.1899999999999999 109.292 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.02 -40.19 88.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 1.4299999999999999 109.894 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.93 94.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 1.3100000000000001 109.636 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 1.3999999999999999 109.71 -179.666 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 109.356 -0.609 . . . . 2.1099999999999999 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.3 140.31 38.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.405 -0.809 . . . . 1.01 109.779 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -134.84 139.0 44.72 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.353 -0.842 . . . . 0.57999999999999996 109.282 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -87.23 158.2 19.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.888 . . . . 1.1599999999999999 108.728 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 tp -147.79 127.54 13.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.102 -0.999 . . . . 1.1699999999999999 109.181 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -87.46 125.95 34.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.328 -0.99 . . . . 1.8100000000000001 108.328 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.93 119.96 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.392 -0.817 . . . . 1.1299999999999999 109.525 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -78.13 147.39 34.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 2.8199999999999998 110.29 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.36 118.24 1.23 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.834 -1.306 . . . . 0.45000000000000001 109.834 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.484 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 43.1 ttt-85 -63.21 -40.55 97.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -1.114 . . . . 3.0800000000000001 109.695 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.3 -40.43 94.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.174 -0.954 . . . . 2.54 109.559 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.36 -39.77 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 4.1100000000000003 109.508 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.37 -49.76 76.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.255 -0.903 . . . . 0.56999999999999995 109.114 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . 0.484 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 99.0 mt-10 -59.93 -40.72 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.939 -1.101 . . . . 1.6599999999999999 109.064 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.0 ttp -62.87 -51.06 68.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 1.29 109.448 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.14 -42.69 96.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.28 -0.888 . . . . 0.40000000000000002 108.826 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.59 -43.07 93.8 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.287 -0.883 . . . . 3.8500000000000001 108.732 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.6 77.03 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.362 -0.836 . . . . 1.78 108.794 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.66 -44.93 95.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 108.587 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.06 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.38 -0.825 . . . . 1.2 109.246 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.8 -39.97 93.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.411 -0.805 . . . . 2.1200000000000001 109.767 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -46.81 86.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.189 -0.945 . . . . 1.0700000000000001 109.242 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.19 -41.39 98.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.071 -1.018 . . . . 1.1399999999999999 108.828 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.39 -42.65 96.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 2.0899999999999999 108.789 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.498 -0.751 . . . . 1.3799999999999999 109.508 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -61.48 -43.7 98.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 2.6800000000000002 109.389 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.03 -40.08 88.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 110.087 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.247 -0.908 . . . . 1.3 109.578 -179.419 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.341 0.591 . . . . 1.6699999999999999 109.51 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.39 140.66 37.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.364 -0.835 . . . . 1.01 109.902 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.85 139.83 45.35 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.405 -0.81 . . . . 0.63 109.205 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -87.92 157.71 18.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 1.1299999999999999 108.704 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.87 126.7 12.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 1.1000000000000001 109.373 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.54 126.36 34.41 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.347 -0.982 . . . . 1.3700000000000001 108.347 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.12 119.95 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.394 -0.816 . . . . 1.1499999999999999 109.446 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -77.87 149.94 34.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 2.77 110.04 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 117.74 0.84 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.155 -1.178 . . . . 0.42999999999999999 110.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . 0.489 ' NH1' ' OE2' ' D' ' 21' ' ' GLU . 46.0 ttt-85 -61.97 -42.2 98.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -1.102 . . . . 3.1200000000000001 109.667 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.03 -40.09 88.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.751 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -63.96 -39.29 93.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.288 -0.882 . . . . 3.5 109.507 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.76 -49.73 76.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.414 -0.804 . . . . 0.5 109.348 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.489 ' OE2' ' NH1' ' D' ' 17' ' ' ARG . 98.9 mt-10 -59.88 -40.28 88.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.056 -1.027 . . . . 1.6899999999999999 108.819 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 31.1 ttp -63.38 -52.41 61.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.227 -0.92 . . . . 1.1399999999999999 109.534 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -63.11 -42.32 99.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.32000000000000001 108.887 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.8 -43.24 94.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.231 -0.918 . . . . 2.96 108.703 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.82 76.15 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.28 -0.888 . . . . 1.75 108.849 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -44.63 96.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.237 -0.914 . . . . 1.0800000000000001 108.544 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.1 -49.97 75.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.442 -0.786 . . . . 1.22 109.231 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.58 -39.83 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 1.73 109.946 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.61 87.86 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.217 -0.927 . . . . 1.0700000000000001 109.509 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.082 -1.011 . . . . 1.1100000000000001 108.736 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.5 -42.67 96.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.344 -0.848 . . . . 1.9099999999999999 108.913 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.11 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 1.1699999999999999 109.568 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.4 -43.7 98.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 2.1499999999999999 109.229 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.425 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 94.3 m-20 -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 110.039 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.0 94.16 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.067 -1.021 . . . . 1.3 109.739 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 1.3999999999999999 109.839 -179.75 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.407 0.622 . . . . 1.7 110.133 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.409 -0.807 . . . . 1.04 109.0 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.21 140.28 51.54 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.325 -0.859 . . . . 0.65000000000000002 110.217 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -90.02 151.86 21.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 108.858 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -146.68 134.05 20.72 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.027 -1.046 . . . . 1.0900000000000001 109.816 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.07 34.91 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.718 -0.845 . . . . 1.3700000000000001 108.718 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.1 121.3 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.472 -0.767 . . . . 1.1499999999999999 109.964 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.24 146.97 38.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.569 -0.707 . . . . 2.79 110.394 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.58 125.32 0.62 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.671 -0.972 . . . . 0.45000000000000001 110.671 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -65.22 -43.02 92.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.357 -1.084 . . . . 3.1600000000000001 109.459 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.05 -40.06 88.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.037 . . . . 2.2200000000000002 109.616 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.3 ttm180 -61.33 -40.0 92.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.206 -0.934 . . . . 3.54 108.819 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.1 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.5 109.541 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.56 -42.09 91.65 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 1.6599999999999999 108.896 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 43.2 ttp -62.89 -49.7 73.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.337 -0.852 . . . . 1.1499999999999999 109.269 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.71 -39.97 90.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.34000000000000002 109.247 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -57.59 -47.04 83.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.207 -0.933 . . . . 2.9399999999999999 108.714 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -45.36 93.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.226 -0.921 . . . . 1.74 109.325 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.09 -43.33 98.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 110.035 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -59.96 -49.98 75.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 1.22 109.409 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -62.24 -39.96 94.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.464 -0.773 . . . . 1.72 109.513 179.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.26 74.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.921 . . . . 1.0700000000000001 109.667 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.39 -43.05 98.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 1.0800000000000001 109.438 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.78 -40.07 91.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.95 . . . . 1.9099999999999999 109.438 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.44 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.322 -0.862 . . . . 1.1499999999999999 109.283 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.65 -49.53 76.16 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.34 -0.85 . . . . 2.1400000000000001 109.52 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.427 -0.796 . . . . 1.4299999999999999 109.838 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.4 66.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.999 . . . . 1.3 109.675 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.4 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 1.4199999999999999 109.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.439 0.637 . . . . 1.6100000000000001 110.05 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -96.74 145.21 26.01 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.362 -0.836 . . . . 0.96999999999999997 109.021 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.9 140.18 51.79 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 0.59999999999999998 110.255 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -89.92 151.9 21.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.405 -0.81 . . . . 1.1000000000000001 108.883 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -146.54 133.8 20.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.958 -1.089 . . . . 1.1000000000000001 109.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -84.12 128.94 34.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.764 -0.828 . . . . 1.3600000000000001 108.764 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.05 121.12 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.398 -0.814 . . . . 1.1699999999999999 110.214 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.26 147.41 38.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.52 -0.737 . . . . 2.79 110.353 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.47 124.8 0.58 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.69 -0.964 . . . . 0.47999999999999998 110.69 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -64.6 -43.41 93.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -1.084 . . . . 3.2200000000000002 109.521 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -0.99 . . . . 2.21 109.639 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.06 92.27 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 3.5499999999999998 108.941 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.91 -49.04 79.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.52000000000000002 109.605 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.94 -42.75 90.51 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.139 -0.976 . . . . 1.6799999999999999 108.892 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 43.2 ttp -62.27 -50.02 73.35 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.272 -0.892 . . . . 1.1499999999999999 109.433 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.19 -40.09 88.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.33000000000000002 109.199 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -58.08 -46.79 84.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.296 -0.877 . . . . 3.02 108.767 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.17 -45.33 93.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.203 -0.936 . . . . 1.75 109.186 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.38 -43.02 98.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 110.055 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -60.03 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.084 -1.01 . . . . 1.21 109.23 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -62.23 -39.97 94.58 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.66 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.09 75.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.209 -0.932 . . . . 1.0600000000000001 109.689 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.48 -43.06 98.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 109.368 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.403 ' CG ' HH12 ' D' ' 19' ' ' ARG . 42.7 mt-10 -60.59 -40.23 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 1.9299999999999999 109.474 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.05 -49.95 75.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.309 -0.869 . . . . 1.1399999999999999 109.344 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.62 -49.43 76.6 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.403 -0.81 . . . . 2.1899999999999999 109.556 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.525 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.7 m-20 -60.01 -40.25 88.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.365 -0.834 . . . . 1.4299999999999999 110.045 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.84 68.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.116 -0.99 . . . . 1.3100000000000001 109.626 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.441 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.5 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 1.3999999999999999 109.655 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.381 0.61 . . . . 2.1099999999999999 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.83 146.79 24.58 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.438 -0.789 . . . . 1.01 108.872 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.66 140.05 50.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.245 -0.909 . . . . 0.57999999999999996 110.079 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -89.81 151.8 21.6 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.875 -0.787 . . . . 1.1599999999999999 108.875 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.45 133.88 20.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.051 -1.031 . . . . 1.1699999999999999 109.738 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -83.86 129.35 34.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.655 -0.869 . . . . 1.8100000000000001 108.655 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.44 121.36 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.389 -0.82 . . . . 1.1299999999999999 110.044 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -76.57 147.53 37.61 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.537 -0.727 . . . . 2.8199999999999998 110.332 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.28 125.67 0.6 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.679 -0.968 . . . . 0.45000000000000001 110.679 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.5 -43.07 91.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -1.075 . . . . 3.0800000000000001 109.426 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.2 -40.11 88.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 2.54 109.602 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 40.8 ttm180 -61.09 -39.98 92.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.207 -0.933 . . . . 4.1100000000000003 108.978 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -60.1 -48.67 80.75 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.56999999999999995 109.62 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.22 -42.26 90.56 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.114 -0.991 . . . . 1.6599999999999999 108.946 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 44.8 ttp -62.95 -49.67 73.83 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.358 -0.839 . . . . 1.29 109.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.5 -40.02 89.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.335 -0.853 . . . . 0.40000000000000002 109.091 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -58.09 -46.48 85.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.317 -0.865 . . . . 3.8500000000000001 108.809 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -45.57 92.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 1.78 109.263 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.19 -42.81 99.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 1.1699999999999999 110.071 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -59.98 -50.06 75.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.017 -1.052 . . . . 1.2 109.318 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -62.26 -40.02 94.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 2.1200000000000001 109.545 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.45 73.75 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.28 -0.888 . . . . 1.0700000000000001 109.724 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 109.412 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . 0.455 ' CG ' HH12 ' A' ' 19' ' ' ARG . 42.8 mt-10 -60.61 -40.26 91.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 2.0899999999999999 109.493 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.13 -49.99 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 1.3799999999999999 109.334 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.65 -49.32 77.03 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.476 -0.765 . . . . 2.6800000000000002 109.582 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.2 m-20 -60.14 -40.51 90.08 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 1.3400000000000001 110.084 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.166 -0.959 . . . . 1.3 109.622 -179.546 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.5 0.667 . . . . 1.6699999999999999 110.096 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.12 144.95 26.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 1.01 109.086 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.88 140.05 51.86 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.3 -0.875 . . . . 0.63 110.258 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -89.84 152.17 21.4 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.92 -0.77 . . . . 1.1299999999999999 108.92 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -146.81 133.98 20.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.964 -1.085 . . . . 1.1000000000000001 109.829 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.06 34.91 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.632 -0.877 . . . . 1.3700000000000001 108.632 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.06 121.42 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.379 -0.825 . . . . 1.1499999999999999 110.216 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -76.33 147.66 37.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.518 -0.739 . . . . 2.77 110.367 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.16 125.5 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.717 -0.953 . . . . 0.42999999999999999 110.717 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.3 -43.18 91.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -1.108 . . . . 3.1200000000000001 109.473 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.01 -40.17 88.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 109.725 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.525 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.0 92.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.156 -0.965 . . . . 3.5 108.94 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.99 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.342 -0.848 . . . . 0.5 109.437 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.09 -42.64 90.92 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.139 -0.975 . . . . 1.6899999999999999 108.846 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 44.7 ttp -62.72 -49.46 74.95 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.267 -0.895 . . . . 1.1399999999999999 109.351 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.7 -39.99 90.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.32000000000000001 109.164 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -58.12 -46.54 85.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.296 -0.877 . . . . 2.96 108.774 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.14 -45.77 91.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.838 . . . . 1.75 109.333 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.26 -42.7 99.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 1.0800000000000001 110.04 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.16 -49.92 75.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.034 -1.041 . . . . 1.22 109.351 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' D' ' 28' ' ' GLU . 0.3 OUTLIER -62.51 -39.98 95.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.49 -0.756 . . . . 1.73 109.467 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.01 75.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 1.0700000000000001 109.665 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -42.48 97.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.195 -0.94 . . . . 1.1100000000000001 109.457 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.24 -40.01 92.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.9099999999999999 109.415 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.07 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.1699999999999999 109.254 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.61 -49.52 76.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.451 -0.781 . . . . 2.1499999999999999 109.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.2 m-20 -60.01 -39.99 87.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.41 -0.806 . . . . 1.4399999999999999 110.007 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.14 67.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.949 . . . . 1.3 109.527 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.312 -0.868 . . . . 1.3999999999999999 109.591 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.328 0.585 . . . . 1.7 110.055 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -110.65 141.51 43.78 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 109.051 -0.722 . . . . 1.04 109.051 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -133.48 139.55 46.73 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.193 -0.942 . . . . 0.65000000000000002 109.938 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.8 p -89.0 155.4 19.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.36 -0.838 . . . . 1.1399999999999999 108.798 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -147.15 129.91 16.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.964 -1.085 . . . . 1.0900000000000001 109.534 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -83.03 128.37 34.41 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.749 -0.834 . . . . 1.3700000000000001 108.749 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.98 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.489 -0.757 . . . . 1.1499999999999999 109.603 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -75.73 147.42 39.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 2.79 110.018 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.05 121.9 0.52 Allowed Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.346 -1.102 . . . . 0.45000000000000001 110.346 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 17' ' ' ARG . 34.5 ttt-85 -64.49 -40.83 96.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.112 . . . . 3.1600000000000001 109.605 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.76 -40.68 93.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 2.2200000000000002 109.141 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.28 -40.05 89.05 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.909 -0.775 . . . . 3.54 108.909 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.23 -49.22 78.69 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.41 -0.806 . . . . 0.5 109.32 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.3 88.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.978 -1.076 . . . . 1.6599999999999999 108.639 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.85 -49.92 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 1.1499999999999999 108.761 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.77 -40.02 96.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.673 -0.862 . . . . 0.34000000000000002 108.673 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' A' ' 24' ' ' ARG . 22.3 ttt-85 -56.89 -46.59 81.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.418 -0.801 . . . . 2.9399999999999999 109.041 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.95 -47.99 83.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.296 -0.878 . . . . 1.74 108.891 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.98 -45.9 91.59 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.305 -0.872 . . . . 1.0700000000000001 108.929 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.92 -50.1 75.1 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.301 -0.875 . . . . 1.22 109.635 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' CD ' ' HZ2' ' B' ' 33' ' ' LYS . 86.1 tt0 -62.34 -39.94 94.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 1.72 109.549 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.29 82.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.186 -0.946 . . . . 1.0700000000000001 109.336 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.124 -0.985 . . . . 1.0800000000000001 109.24 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -41.69 93.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 1.9099999999999999 109.232 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.28 -44.15 97.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.326 -0.991 . . . . 1.1499999999999999 108.326 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HZ2' ' CD ' ' B' ' 28' ' ' GLU . 20.0 ttmm -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.031 -0.729 . . . . 2.1400000000000001 109.031 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.0 -39.96 87.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.104 -0.997 . . . . 1.4299999999999999 108.991 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.93 93.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.332 -0.855 . . . . 1.3 108.946 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.343 -0.848 . . . . 1.4199999999999999 109.57 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.424 0.63 . . . . 1.6100000000000001 109.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -110.68 141.99 43.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.6 -0.688 . . . . 0.96999999999999997 109.204 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.28 139.08 45.47 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.243 -0.91 . . . . 0.59999999999999998 109.997 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -89.3 154.98 19.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.882 . . . . 1.1000000000000001 108.658 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.8 tp -146.66 130.28 16.93 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.053 -1.029 . . . . 1.1000000000000001 109.606 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.19 128.35 34.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 108.84 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 119.99 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.414 -0.804 . . . . 1.1699999999999999 109.807 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.56 147.01 40.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.449 -0.782 . . . . 2.79 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.31 122.36 0.57 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.218 -1.153 . . . . 0.47999999999999998 110.218 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 33.4 ttt-85 -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -1.123 . . . . 3.2200000000000002 109.41 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.53 -41.49 94.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 2.21 109.144 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.898 -0.778 . . . . 3.5499999999999998 108.898 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.34 -49.48 77.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.395 -0.816 . . . . 0.52000000000000002 109.386 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.423 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.9 mt-10 -59.79 -40.26 87.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.949 -1.094 . . . . 1.6799999999999999 108.62 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -60.61 -50.02 75.21 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.381 -0.825 . . . . 1.1499999999999999 108.873 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.68 -40.05 95.88 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.621 -0.881 . . . . 0.33000000000000002 108.621 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' B' ' 24' ' ' ARG . 23.3 ttt-85 -56.7 -46.59 81.13 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.438 -0.789 . . . . 3.02 109.051 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.02 -48.02 83.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.26 -0.9 . . . . 1.75 108.833 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.24 -45.54 92.88 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 108.934 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 -50.29 74.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.347 -0.846 . . . . 1.21 109.64 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.528 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 86.0 tt0 -62.27 -40.0 94.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 109.493 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.78 80.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 1.0600000000000001 109.387 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.59 -41.47 98.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 1.0800000000000001 109.244 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.09 -41.68 93.01 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.092 -1.005 . . . . 1.9299999999999999 109.217 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.46 -44.15 97.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.24 -1.022 . . . . 1.1399999999999999 108.24 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.45 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 19.9 ttmm -59.99 -39.91 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.541 -0.724 . . . . 2.1899999999999999 109.074 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.9 . . . . 1.4299999999999999 108.892 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.02 94.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 1.3100000000000001 109.009 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.3999999999999999 109.54 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.362 0.601 . . . . 2.1099999999999999 109.942 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -110.96 141.68 44.07 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.02 -0.733 . . . . 1.01 109.02 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.61 139.71 46.68 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.258 -0.901 . . . . 0.57999999999999996 109.975 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 60.7 p -89.24 155.44 19.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.643 -0.873 . . . . 1.1599999999999999 108.643 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.47 129.49 15.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.036 -1.04 . . . . 1.1699999999999999 109.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.5 128.58 34.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 1.8100000000000001 108.795 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.02 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.365 -0.835 . . . . 1.1299999999999999 109.66 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -75.77 147.25 39.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.39 -0.818 . . . . 2.8199999999999998 110.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 122.43 0.58 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.235 -1.146 . . . . 0.45000000000000001 110.235 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' C' ' 17' ' ' ARG . 34.5 ttt-85 -64.68 -41.08 96.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.342 -1.093 . . . . 3.0800000000000001 109.643 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.76 -40.97 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 2.54 109.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.95 -40.12 87.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.451 -0.781 . . . . 4.1100000000000003 108.912 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.32 -49.19 78.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.56999999999999995 109.353 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.95 -40.22 88.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.065 . . . . 1.6599999999999999 108.6 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.4 ttp -60.82 -49.98 75.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.439 -0.788 . . . . 1.29 109.058 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.02 -40.02 96.5 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.574 -0.899 . . . . 0.40000000000000002 108.574 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' C' ' 24' ' ' ARG . 21.7 ttt-85 -56.84 -46.57 81.62 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.479 -0.763 . . . . 3.8500000000000001 109.029 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.02 -48.23 82.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 1.78 108.792 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.81 -45.89 91.87 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.213 -0.93 . . . . 1.1699999999999999 109.043 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.98 -50.36 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.2 109.532 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.563 ' CD ' ' HZ2' ' D' ' 33' ' ' LYS . 85.8 tt0 -61.9 -40.03 94.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.915 . . . . 2.1200000000000001 109.5 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.301 -0.875 . . . . 1.0700000000000001 109.392 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.27 -41.77 98.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.113 -0.992 . . . . 1.1399999999999999 109.137 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -41.81 93.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 2.0899999999999999 109.294 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.35 -43.95 98.01 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.265 -1.013 . . . . 1.3799999999999999 108.265 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.508 ' HZ2' ' CD ' ' D' ' 28' ' ' GLU . 19.8 ttmm -60.14 -39.99 88.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.552 -0.718 . . . . 2.6800000000000002 109.09 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.206 -0.934 . . . . 1.3400000000000001 108.979 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.364 -0.835 . . . . 1.3 108.886 179.401 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.325 0.583 . . . . 1.6699999999999999 109.91 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -110.98 141.93 43.77 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.175 -0.676 . . . . 1.01 109.175 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -133.88 139.06 45.96 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.263 -0.898 . . . . 0.63 109.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.99 154.93 19.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 1.1299999999999999 108.666 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -146.47 130.28 17.12 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.032 -1.042 . . . . 1.1000000000000001 109.46 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -83.3 128.28 34.37 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.577 -0.898 . . . . 1.3700000000000001 108.577 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -120.03 120.02 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.41 -0.806 . . . . 1.1499999999999999 109.791 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.9 147.14 39.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.514 -0.742 . . . . 2.77 110.012 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.48 122.09 0.58 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.281 -1.128 . . . . 0.42999999999999999 110.281 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' D' ' 17' ' ' ARG . 35.0 ttt-85 -64.44 -41.23 96.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -1.103 . . . . 3.1200000000000001 109.421 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.57 -40.95 93.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.13 -0.981 . . . . 2.2200000000000002 109.156 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.05 -40.12 88.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.841 . . . . 3.5 109.025 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.07 -48.97 79.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.5 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.99 -40.57 89.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.909 -1.119 . . . . 1.6899999999999999 108.75 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -60.8 -50.14 74.67 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.374 -0.829 . . . . 1.1399999999999999 108.918 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.75 -39.94 95.7 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.634 -0.876 . . . . 0.32000000000000001 108.634 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . 0.437 HH11 ' HG2' ' D' ' 24' ' ' ARG . 22.9 ttt-85 -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.473 -0.767 . . . . 2.96 109.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -47.98 83.64 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.859 . . . . 1.75 108.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.0 -45.77 92.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.155 -0.966 . . . . 1.0800000000000001 108.865 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.01 -50.33 74.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.358 -0.839 . . . . 1.22 109.617 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . 0.508 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 85.9 tt0 -62.03 -40.02 94.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 1.73 109.429 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 109.363 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.95 -42.11 98.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.985 . . . . 1.1100000000000001 109.157 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -41.16 92.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 1.9099999999999999 109.34 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -43.98 97.74 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.207 -1.034 . . . . 1.1699999999999999 108.207 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . 0.563 ' HZ2' ' CD ' ' C' ' 28' ' ' GLU . 19.7 ttmm -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.049 -0.723 . . . . 2.1499999999999999 109.049 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.08 -39.88 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.053 -1.03 . . . . 1.4399999999999999 108.979 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.99 94.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 1.3 108.871 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 1.3999999999999999 109.473 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.561 0.696 . . . . 1.7 109.89 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -103.04 140.38 37.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 1.04 109.461 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.42 139.2 50.6 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.435 -0.791 . . . . 0.65000000000000002 109.49 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.0 p -88.63 156.34 19.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.376 -0.827 . . . . 1.1399999999999999 108.795 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.95 129.96 15.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.922 . . . . 1.0900000000000001 109.081 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -84.49 129.0 34.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 1.3700000000000001 109.097 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.83 119.96 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.486 -0.759 . . . . 1.1499999999999999 109.434 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -77.59 149.69 34.79 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.17 -0.956 . . . . 2.79 110.219 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.66 124.47 0.47 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 110.37 -1.092 . . . . 0.45000000000000001 110.37 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.87 -40.06 91.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -1.072 . . . . 3.1600000000000001 109.552 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.96 -42.41 94.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.199 -0.938 . . . . 2.2200000000000002 108.766 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.65 -40.91 98.52 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 3.54 108.573 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.796 . . . . 0.5 109.64 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.055 -1.028 . . . . 1.6599999999999999 108.293 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.7 ttp -61.55 -49.92 74.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 1.1499999999999999 109.54 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.09 -40.09 94.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.34000000000000002 109.672 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -59.2 -41.2 87.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.023 -1.048 . . . . 2.9399999999999999 108.932 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.93 -49.21 78.59 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.44 -48.52 80.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 1.0700000000000001 108.665 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.498 -0.751 . . . . 1.22 108.982 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' CD ' ' HZ2' ' B' ' 33' ' ' LYS . 88.3 tt0 -60.05 -41.42 92.27 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 1.72 109.107 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.45 77.61 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 1.0700000000000001 109.335 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.15 -43.07 99.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -0.985 . . . . 1.0800000000000001 109.251 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -40.15 90.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.252 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.01 -49.49 77.46 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.454 -0.943 . . . . 1.1499999999999999 108.454 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.02 -39.92 87.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.451 -0.78 . . . . 2.1400000000000001 109.151 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.365 -0.835 . . . . 1.4299999999999999 109.425 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.0 94.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.427 -0.796 . . . . 1.3 109.746 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.585 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 78.1 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.095 -1.003 . . . . 1.4199999999999999 109.733 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.63 . . . . 1.6100000000000001 109.942 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.1 141.22 35.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.473 -0.767 . . . . 0.96999999999999997 109.496 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -131.3 138.2 49.15 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.45 -0.781 . . . . 0.59999999999999998 109.648 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -88.1 155.09 19.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.133 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -146.84 129.91 16.42 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 109.155 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.31 128.46 34.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.3600000000000001 109.093 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.37 120.0 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.418 -0.801 . . . . 1.1699999999999999 109.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -77.37 149.67 35.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 2.79 110.086 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.46 126.37 0.54 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.211 -1.156 . . . . 0.47999999999999998 110.211 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -67.57 -39.92 84.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.475 -1.015 . . . . 3.2200000000000002 109.45 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.04 -42.51 94.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.19 -0.943 . . . . 2.21 108.796 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.44 -40.72 97.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.253 -0.904 . . . . 3.5499999999999998 108.621 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.08 -49.87 75.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.445 -0.785 . . . . 0.52000000000000002 109.64 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.6 -49.6 75.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.614 -0.679 . . . . 1.1499999999999999 109.412 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.09 -40.42 95.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.473 -0.767 . . . . 0.33000000000000002 109.504 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -59.29 -41.22 88.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.068 -1.02 . . . . 3.02 109.046 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -49.28 78.26 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.501 -0.926 . . . . 1.75 108.501 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.29 -48.51 81.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 1.0700000000000001 108.738 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.02 -48.52 81.37 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.835 -0.802 . . . . 1.21 108.835 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -41.32 91.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.407 -0.808 . . . . 1.6899999999999999 109.202 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.02 79.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 1.0600000000000001 109.44 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.56 -42.71 99.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 1.0800000000000001 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.99 -40.06 92.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 1.9299999999999999 108.998 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.98 -49.76 76.4 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.521 -0.918 . . . . 1.1399999999999999 108.521 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.433 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 35.2 ttmt -60.0 -40.0 87.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.549 -0.72 . . . . 2.1899999999999999 109.066 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.389 -0.819 . . . . 1.4299999999999999 109.477 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.22 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 1.3100000000000001 109.807 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.585 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 78.2 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.3999999999999999 109.798 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.385 0.612 . . . . 2.1099999999999999 109.956 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.91 141.2 36.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.676 -0.64 . . . . 1.01 109.47 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -131.04 138.58 49.68 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.447 -0.783 . . . . 0.57999999999999996 109.656 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 44.5 p -88.39 155.97 19.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.307 -0.871 . . . . 1.1599999999999999 109.108 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -147.68 129.98 15.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.181 -0.949 . . . . 1.1699999999999999 109.227 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.81 129.05 34.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 1.8100000000000001 109.004 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.7 119.99 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.519 -0.738 . . . . 1.1299999999999999 109.335 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -77.46 149.95 35.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.8199999999999998 109.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.27 125.99 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.515 -1.034 . . . . 0.45000000000000001 110.515 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.13 -40.0 86.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -1.03 . . . . 3.0800000000000001 109.302 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.05 -43.1 95.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.009 . . . . 2.54 108.919 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.8 -40.97 97.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 4.1100000000000003 108.84 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.01 -50.01 75.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.56999999999999995 109.487 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -40.42 89.58 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.17 -1.048 . . . . 1.6599999999999999 108.17 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.5 ttp -61.46 -49.98 74.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.694 -0.629 . . . . 1.29 109.445 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.72 -40.12 93.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.476 -0.765 . . . . 0.40000000000000002 109.671 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -59.31 -41.11 88.25 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.931 -1.105 . . . . 3.8500000000000001 109.053 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.81 80.17 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 1.78 108.504 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 1.1699999999999999 108.605 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.06 -48.83 80.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 1.2 108.852 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.417 ' CD ' ' HZ2' ' D' ' 33' ' ' LYS . 87.9 tt0 -60.02 -41.29 91.86 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.379 -0.825 . . . . 2.1200000000000001 109.057 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.283 -0.885 . . . . 1.0700000000000001 109.363 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -42.66 99.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 1.1399999999999999 109.306 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.83 -40.24 92.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 2.0899999999999999 109.236 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.01 -49.66 76.78 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.497 -0.927 . . . . 1.3799999999999999 108.497 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.507 ' HZ2' ' CD ' ' D' ' 28' ' ' GLU . 34.8 ttmt -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.474 -0.766 . . . . 2.6800000000000002 109.084 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.96 -39.99 87.51 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.357 -0.839 . . . . 1.3400000000000001 109.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.294 -0.878 . . . . 1.3 109.925 -179.601 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.362 0.601 . . . . 1.6699999999999999 109.875 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.98 140.81 36.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.582 -0.699 . . . . 1.01 109.353 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.22 139.6 50.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.515 -0.741 . . . . 0.63 109.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -88.96 155.91 19.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 1.1299999999999999 108.942 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -147.64 129.8 15.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.11 -0.994 . . . . 1.1000000000000001 109.073 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.58 128.71 34.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.3700000000000001 108.995 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.73 120.0 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.406 -0.809 . . . . 1.1499999999999999 109.28 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -77.16 149.87 35.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 2.77 110.035 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.99 125.21 0.43 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.469 -1.052 . . . . 0.42999999999999999 110.469 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -66.33 -40.04 89.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.435 -1.038 . . . . 3.1200000000000001 109.577 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.18 93.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.053 -1.029 . . . . 2.2200000000000002 108.928 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.59 -40.87 98.3 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.676 -0.861 . . . . 3.5 108.676 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -59.96 -50.08 75.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.599 -0.688 . . . . 0.5 109.597 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.29 88.57 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.02 -1.104 . . . . 1.6899999999999999 108.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 60.5 ttp -61.16 -49.95 75.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.41 0.624 . . . . 1.1399999999999999 109.622 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.05 -40.33 95.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.453 -0.779 . . . . 0.32000000000000001 109.565 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -59.37 -41.12 88.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.096 -1.002 . . . . 2.96 109.031 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -48.79 80.25 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.386 -0.968 . . . . 1.75 108.386 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.95 -48.5 80.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 108.788 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.97 -48.47 81.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.46 -0.775 . . . . 1.22 108.926 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . 0.507 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 88.4 tt0 -59.98 -41.46 92.06 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.393 -0.817 . . . . 1.73 109.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.01 75.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -0.846 . . . . 1.0700000000000001 109.299 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.73 -42.66 97.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.326 -0.859 . . . . 1.1100000000000001 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.03 -40.15 92.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 109.032 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.599 -0.889 . . . . 1.1699999999999999 108.599 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . 0.417 ' HZ2' ' CD ' ' C' ' 28' ' ' GLU . 35.3 ttmt -60.01 -40.03 87.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.466 -0.771 . . . . 2.1499999999999999 109.179 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -39.98 87.87 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.411 -0.805 . . . . 1.4399999999999999 109.421 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.0 93.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.805 . . . . 1.3 109.78 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.041 -1.037 . . . . 1.3999999999999999 109.667 -179.783 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 52.5 mp0 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.116 -0.698 . . . . 1.7 109.116 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -96.34 141.62 29.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.362 -0.836 . . . . 1.04 109.773 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.69 142.63 48.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.48 -0.762 . . . . 0.65000000000000002 109.636 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.3 p -90.13 154.87 19.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.247 -0.908 . . . . 1.1399999999999999 109.029 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -148.5 132.52 17.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.084 -1.01 . . . . 1.0900000000000001 109.657 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.18 127.52 34.3 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.249 -0.907 . . . . 1.3700000000000001 108.976 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.38 120.06 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.333 -0.855 . . . . 1.1499999999999999 109.803 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -77.32 148.99 35.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.349 -0.844 . . . . 2.79 110.028 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.9 115.97 0.35 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.234 -1.147 . . . . 0.45000000000000001 110.234 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -60.95 -41.51 96.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -1.085 . . . . 3.1600000000000001 109.367 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.061 . . . . 2.2200000000000002 108.832 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.502 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.7 ttm180 -62.47 -40.06 95.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.589 -0.893 . . . . 3.54 108.589 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.04 -49.76 76.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.28 -0.888 . . . . 0.5 109.075 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.83 -40.49 88.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.19 -0.944 . . . . 1.6599999999999999 108.532 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 24.5 ttp -63.27 -49.98 71.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.434 -0.791 . . . . 1.1499999999999999 109.074 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.19 -40.34 97.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.347 -0.846 . . . . 0.34000000000000002 109.193 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.8 -44.13 94.11 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.106 -0.996 . . . . 2.9399999999999999 108.833 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.03 87.51 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.311 -0.868 . . . . 1.74 108.993 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.32 -43.6 97.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.197 -0.939 . . . . 1.0700000000000001 109.119 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.348 -0.845 . . . . 1.22 109.497 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -39.94 95.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.51 -0.744 . . . . 1.72 109.624 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.06 79.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 1.0700000000000001 109.618 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.57 -43.48 97.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 1.0800000000000001 109.112 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -40.0 89.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.866 . . . . 1.9099999999999999 109.269 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.02 -52.95 60.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.387 -0.821 . . . . 1.1499999999999999 109.103 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.03 -42.95 95.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.08 -1.013 . . . . 2.1400000000000001 109.423 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 96.1 m-20 -60.1 -39.93 87.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.345 -0.847 . . . . 1.4299999999999999 109.2 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.42 94.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 1.3 109.349 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 1.4199999999999999 109.277 179.639 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 54.1 mp0 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.155 -0.683 . . . . 1.6100000000000001 109.155 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.8 141.56 29.86 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.293 -0.879 . . . . 0.96999999999999997 109.885 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -133.51 142.82 48.4 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.338 -0.852 . . . . 0.59999999999999998 109.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.38 156.07 18.93 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 1.1000000000000001 108.967 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -149.66 131.91 15.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.004 -1.06 . . . . 1.1000000000000001 109.625 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.75 127.25 34.02 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.262 -0.898 . . . . 1.3600000000000001 108.93 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.02 120.07 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.35 -0.844 . . . . 1.1699999999999999 109.849 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -77.46 148.93 35.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.28 -0.888 . . . . 2.79 110.15 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 116.13 0.32 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.344 -1.103 . . . . 0.47999999999999998 110.344 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.64 -41.32 94.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.393 -1.063 . . . . 3.2200000000000002 109.693 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.04 -40.38 89.2 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.033 -1.042 . . . . 2.21 108.799 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.8 ttm180 -62.66 -39.93 95.47 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.631 -0.877 . . . . 3.5499999999999998 108.631 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.99 -49.67 76.76 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.894 -0.78 . . . . 0.52000000000000002 108.894 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -41.53 90.99 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 ttp -62.32 -50.3 72.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.363 -0.836 . . . . 1.1499999999999999 109.16 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.97 -41.04 99.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.509 -0.744 . . . . 0.33000000000000002 109.116 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.32 -44.04 92.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.177 -0.952 . . . . 3.02 108.968 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -47.74 84.58 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 1.75 108.825 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.87 -43.21 99.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.083 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -50.03 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.28 -0.888 . . . . 1.21 109.243 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -39.95 95.67 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.585 -0.697 . . . . 1.6899999999999999 109.584 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.903 . . . . 1.0600000000000001 109.562 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.69 -43.62 97.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.973 -1.079 . . . . 1.0800000000000001 109.152 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -39.94 89.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 1.9299999999999999 109.468 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.56 -53.25 57.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 1.1399999999999999 109.144 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.13 -42.77 95.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 2.1899999999999999 109.391 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.532 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 1.4299999999999999 109.232 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.52 96.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.338 -0.852 . . . . 1.3100000000000001 109.318 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.861 . . . . 1.3999999999999999 109.471 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 55.3 mp0 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.132 -0.692 . . . . 2.1099999999999999 109.132 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.55 140.55 31.02 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.299 -0.876 . . . . 1.01 109.978 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.64 142.06 48.92 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.516 -0.74 . . . . 0.57999999999999996 109.617 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 63.7 p -89.19 153.95 20.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 1.1599999999999999 108.965 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -147.77 132.54 17.96 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.953 -1.092 . . . . 1.1699999999999999 109.598 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.06 127.69 34.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.23 -0.919 . . . . 1.8100000000000001 108.984 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.55 119.96 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.355 -0.84 . . . . 1.1299999999999999 109.771 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -77.62 149.5 34.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.26 -0.9 . . . . 2.8199999999999998 110.096 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 116.08 0.32 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.226 -1.15 . . . . 0.45000000000000001 110.226 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -61.24 -41.31 96.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -1.097 . . . . 3.0800000000000001 109.427 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.91 -40.22 88.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.068 -1.02 . . . . 2.54 108.757 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 44.0 ttm180 -62.7 -39.96 95.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.232 -0.918 . . . . 4.1100000000000003 108.734 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.01 -49.66 76.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.56999999999999995 109.114 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.9 -41.07 90.83 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.296 -1.001 . . . . 1.6599999999999999 108.296 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.3 -50.06 73.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.359 -0.838 . . . . 1.29 109.122 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.26 -41.18 99.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.40000000000000002 109.091 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -59.32 -43.84 92.64 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.224 -0.922 . . . . 3.8500000000000001 108.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.96 -47.81 84.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.303 -0.873 . . . . 1.78 108.826 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.68 -43.55 98.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 1.1699999999999999 109.12 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.13 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.332 -0.855 . . . . 1.2 109.457 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.49 -40.04 95.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.553 -0.717 . . . . 2.1200000000000001 109.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.57 76.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 1.0700000000000001 109.718 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.19 -43.83 95.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 1.1399999999999999 108.936 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.29 -40.43 90.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.0899999999999999 109.442 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.52 -53.07 60.24 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.489 -0.757 . . . . 1.3799999999999999 108.999 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.01 -42.94 95.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 2.6800000000000002 109.402 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.502 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 95.3 m-20 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 1.3400000000000001 109.405 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 1.3 109.266 -179.77 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 53.7 mp0 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.15 -0.685 . . . . 1.6699999999999999 109.15 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.6 141.62 29.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.327 -0.858 . . . . 1.01 109.974 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.61 142.52 48.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.509 -0.745 . . . . 0.63 109.61 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 64.9 p -89.72 154.29 20.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.29 -0.881 . . . . 1.1299999999999999 108.96 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -148.01 132.37 17.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.05 . . . . 1.1000000000000001 109.685 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.93 127.81 34.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 108.921 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.61 120.1 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.362 -0.837 . . . . 1.1499999999999999 109.907 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -77.69 149.44 34.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.77 110.139 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 116.2 0.32 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.262 -1.135 . . . . 0.42999999999999999 110.262 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.08 -41.15 96.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -1.105 . . . . 3.1200000000000001 109.608 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.06 -40.22 88.73 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.935 -1.103 . . . . 2.2200000000000002 108.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.532 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.9 ttm180 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.676 -0.861 . . . . 3.5 108.676 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.09 -49.7 76.6 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.43 -0.793 . . . . 0.5 109.088 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.0 -40.63 89.85 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.371 -0.974 . . . . 1.6899999999999999 108.371 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 25.5 ttp -62.98 -49.96 72.63 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.414 -0.804 . . . . 1.1399999999999999 108.966 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -40.87 98.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.43 -0.794 . . . . 0.32000000000000001 109.101 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -59.3 -44.24 92.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.069 -1.019 . . . . 2.96 108.989 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -47.29 86.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.284 -0.885 . . . . 1.75 108.951 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.29 -43.32 98.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.211 -0.93 . . . . 1.0800000000000001 109.016 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -50.05 75.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.865 . . . . 1.22 109.32 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.0 95.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.54 -0.725 . . . . 1.73 109.631 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.79 -48.88 79.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 1.0700000000000001 109.591 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.85 -42.61 98.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.092 -1.005 . . . . 1.1100000000000001 109.067 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.36 -40.08 92.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.292 -0.88 . . . . 1.9099999999999999 109.191 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.74 -52.37 63.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.461 -0.774 . . . . 1.1699999999999999 109.127 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.49 -43.13 97.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 2.1499999999999999 109.445 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.1 m-20 -60.02 -40.11 88.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 1.4399999999999999 109.478 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.18 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.319 -0.863 . . . . 1.3 109.35 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.3999999999999999 109.382 179.824 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.395 0.617 . . . . 1.7 110.246 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -107.93 146.95 31.7 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.88 -0.785 . . . . 1.04 108.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.11 137.2 42.58 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.209 -0.932 . . . . 0.65000000000000002 109.455 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -87.85 153.93 20.94 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.869 -0.789 . . . . 1.1399999999999999 108.869 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 tp -145.66 133.09 20.72 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.028 -1.045 . . . . 1.0900000000000001 109.53 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -83.63 127.32 33.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.843 . . . . 1.3700000000000001 108.985 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.19 119.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.417 -0.802 . . . . 1.1499999999999999 109.524 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -77.51 143.33 38.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.382 -0.824 . . . . 2.79 110.232 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.28 124.6 1.38 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.204 -1.159 . . . . 0.45000000000000001 110.204 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -67.48 -40.1 85.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -1.125 . . . . 3.1600000000000001 109.448 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.15 93.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 2.2200000000000002 108.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.08 -39.91 94.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.385 -0.822 . . . . 3.54 109.112 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.88 -49.99 75.53 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.5 109.286 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.122 -1.066 . . . . 1.6599999999999999 108.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 53.4 ttp -61.25 -50.72 71.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.48 -0.763 . . . . 1.1499999999999999 109.55 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.7 -40.18 94.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.435 -0.791 . . . . 0.34000000000000002 109.135 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.37 -45.3 91.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.852 . . . . 2.9399999999999999 108.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.04 -48.5 81.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.727 -0.842 . . . . 1.74 108.727 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.87 -45.11 95.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 108.767 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -60.05 -49.8 76.21 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.329 -0.857 . . . . 1.22 109.065 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.37 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.385 -0.822 . . . . 1.72 109.505 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.32 78.2 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 1.0700000000000001 109.473 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.77 -41.46 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.133 -0.98 . . . . 1.0800000000000001 109.285 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.31 -43.35 96.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -0.992 . . . . 1.9099999999999999 108.886 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 1.1499999999999999 108.863 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -60.24 -39.84 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.54 -0.725 . . . . 2.1400000000000001 109.134 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.96 -39.96 87.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 1.4299999999999999 109.647 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.38 93.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.971 . . . . 1.3 109.659 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.038 -1.039 . . . . 1.4199999999999999 109.553 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.213 0.53 . . . . 1.6100000000000001 110.3 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.49 146.74 31.4 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.96999999999999997 108.954 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -134.75 137.08 43.13 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.206 -0.934 . . . . 0.59999999999999998 109.637 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.24 153.63 21.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 1.1000000000000001 108.822 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -145.29 134.19 22.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.306 -0.871 . . . . 1.1000000000000001 109.485 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -84.69 127.06 33.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.269 -0.895 . . . . 1.3600000000000001 108.926 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.94 119.72 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.372 -0.83 . . . . 1.1699999999999999 109.425 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -76.81 144.03 39.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 2.79 109.917 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.58 1.18 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.459 -1.056 . . . . 0.47999999999999998 110.459 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.57 -40.05 84.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 3.2200000000000002 109.52 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.02 -43.12 95.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 2.21 108.647 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.11 -40.03 92.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.462 -0.774 . . . . 3.5499999999999998 109.102 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.97 -49.85 76.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.464 -0.772 . . . . 0.52000000000000002 109.447 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.61 -41.04 84.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.091 -1.006 . . . . 1.6799999999999999 108.419 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 52.3 ttp -62.28 -49.97 73.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.605 -0.685 . . . . 1.1499999999999999 109.417 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.512 -0.743 . . . . 0.33000000000000002 109.199 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.45 -44.88 92.86 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.367 -0.833 . . . . 3.02 108.862 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -48.96 79.53 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.265 -0.897 . . . . 1.75 108.724 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.32 -45.34 94.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -0.899 . . . . 1.0700000000000001 108.683 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.08 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.278 -0.888 . . . . 1.21 109.096 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 1.6899999999999999 109.483 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.33 78.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 1.0600000000000001 109.352 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.19 -41.91 98.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 1.0800000000000001 109.142 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -43.27 94.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.869 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.14 -46.9 88.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 1.1399999999999999 108.912 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.13 -40.01 88.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.422 -0.799 . . . . 2.1899999999999999 109.088 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.89 -39.87 86.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.346 -0.846 . . . . 1.4299999999999999 109.677 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.25 92.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.084 -1.01 . . . . 1.3100000000000001 109.654 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.106 -0.996 . . . . 1.3999999999999999 109.306 179.825 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.145 0.498 . . . . 2.1099999999999999 110.176 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -108.14 146.52 32.57 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 109.006 -0.739 . . . . 1.01 109.006 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.35 137.15 43.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.2 -0.938 . . . . 0.57999999999999996 109.642 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -87.94 153.36 21.36 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.826 -0.805 . . . . 1.1599999999999999 108.826 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.6 tp -145.17 134.3 22.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.032 . . . . 1.1699999999999999 109.588 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -84.51 126.9 33.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 1.8100000000000001 109.072 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 119.96 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.438 -0.789 . . . . 1.1299999999999999 109.465 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -77.55 143.49 38.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 2.8199999999999998 110.172 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 124.68 1.43 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.158 -1.177 . . . . 0.45000000000000001 110.158 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -67.73 -40.07 84.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.371 -1.076 . . . . 3.0800000000000001 109.391 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.49 94.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.997 . . . . 2.54 109.025 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.74 -39.98 93.5 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.404 -0.81 . . . . 4.1100000000000003 108.985 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.84 -49.57 77.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.56999999999999995 109.39 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.9 -41.53 87.44 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.1 -1.0 . . . . 1.6599999999999999 108.367 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 51.7 ttp -61.58 -50.13 73.84 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.595 -0.691 . . . . 1.29 109.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.3 -40.23 95.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.396 -0.815 . . . . 0.40000000000000002 108.843 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.213 -0.929 . . . . 3.8500000000000001 108.878 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -48.7 80.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.272 -0.892 . . . . 1.78 108.636 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.83 -44.78 96.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.238 -0.914 . . . . 1.1699999999999999 108.762 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.28 -49.71 76.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.256 -0.903 . . . . 1.2 108.927 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.605 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.98 75.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.309 -0.869 . . . . 1.0700000000000001 109.179 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.07 -41.63 96.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.088 -1.008 . . . . 1.1399999999999999 109.36 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.92 95.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 109.034 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.67 -46.94 88.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 1.3799999999999999 108.808 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.14 -39.94 88.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -0.82 . . . . 2.6800000000000002 109.203 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.86 -39.99 87.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 1.3400000000000001 109.648 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 1.3 109.608 -179.522 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.27 0.557 . . . . 1.6699999999999999 110.121 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -108.34 146.8 32.45 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.825 -0.806 . . . . 1.01 108.825 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -134.45 137.65 44.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.229 -0.919 . . . . 0.63 109.726 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -88.86 152.67 21.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 1.1299999999999999 108.731 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -144.38 134.18 23.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.192 -0.943 . . . . 1.1000000000000001 109.469 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -84.3 127.28 33.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.356 -0.84 . . . . 1.3700000000000001 108.794 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.13 119.93 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.437 -0.789 . . . . 1.1499999999999999 109.404 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -77.72 143.57 37.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.366 -0.834 . . . . 2.77 110.047 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.86 124.64 1.28 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.11 -1.196 . . . . 0.42999999999999999 110.11 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.47 -40.1 85.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -1.085 . . . . 3.1200000000000001 109.315 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.94 -42.44 94.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 2.2200000000000002 108.86 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.67 -40.04 93.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.369 -0.832 . . . . 3.5 109.05 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.99 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.491 -0.756 . . . . 0.5 109.21 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.53 -41.48 85.62 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.306 -0.998 . . . . 1.6899999999999999 108.306 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 54.3 ttp -62.05 -49.6 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.521 -0.737 . . . . 1.1399999999999999 109.347 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.85 -40.1 96.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.32000000000000001 109.02 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.31 -45.1 92.23 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.269 -0.894 . . . . 2.96 108.721 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -48.29 82.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.749 -0.834 . . . . 1.75 108.749 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.11 -45.01 95.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 1.0800000000000001 108.869 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.19 -49.75 76.4 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.41 -0.806 . . . . 1.22 109.012 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.75 -39.91 90.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 1.73 109.455 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -49.83 76.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.251 -0.906 . . . . 1.0700000000000001 109.379 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.25 -41.96 97.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.031 -1.043 . . . . 1.1100000000000001 109.246 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.95 95.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 1.9099999999999999 108.786 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.06 -47.22 86.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 1.1699999999999999 108.923 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.27 -39.85 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.452 -0.78 . . . . 2.1499999999999999 109.101 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.05 -39.8 87.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 1.4399999999999999 109.345 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.19 95.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 1.3 109.709 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 1.3999999999999999 109.639 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.036 -0.727 . . . . 1.7 109.036 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.1 144.23 37.42 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.384 -0.822 . . . . 1.04 109.635 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.47 139.57 44.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.318 -0.864 . . . . 0.65000000000000002 109.461 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.56 150.41 23.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 1.1399999999999999 108.797 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -145.9 131.42 18.76 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.075 -1.016 . . . . 1.0900000000000001 109.789 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.26 129.6 35.02 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.605 -0.887 . . . . 1.3700000000000001 108.605 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.26 121.2 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.41 -0.806 . . . . 1.1499999999999999 110.028 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -75.38 142.51 43.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.481 -0.762 . . . . 2.79 110.423 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.49 119.68 1.37 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.176 -1.17 . . . . 0.45000000000000001 110.176 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -62.5 -42.89 99.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -1.134 . . . . 3.1600000000000001 109.269 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -41.55 92.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.182 -0.949 . . . . 2.2200000000000002 109.068 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.43 -0.794 . . . . 3.54 109.247 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.79 -49.81 76.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.347 -0.846 . . . . 0.5 109.647 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.62 89.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.037 -1.039 . . . . 1.6599999999999999 108.782 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.2 ttp -62.49 -50.0 73.14 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.417 -0.802 . . . . 1.1499999999999999 109.575 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.23 -39.98 94.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.34000000000000002 109.32 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.93 -42.53 94.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 2.9399999999999999 108.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.01 -47.34 86.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.883 -0.784 . . . . 1.74 108.883 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.64 -45.85 92.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 1.0700000000000001 109.656 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.99 -49.88 75.93 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.174 -0.954 . . . . 1.22 109.29 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' CD ' ' HZ2' ' B' ' 33' ' ' LYS . 86.1 tt0 -60.52 -40.13 90.32 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.209 -0.932 . . . . 1.72 110.038 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.13 74.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 1.0700000000000001 110.018 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.5 -41.31 97.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.01 . . . . 1.0800000000000001 109.109 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.067 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.87 -49.95 75.68 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.683 -0.858 . . . . 1.1499999999999999 108.683 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HZ2' ' CD ' ' B' ' 28' ' ' GLU . 35.2 ttmt -59.96 -40.07 87.76 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 2.1400000000000001 109.699 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.21 -39.67 87.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -0.883 . . . . 1.4299999999999999 109.49 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.64 85.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 1.3 109.607 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 78.1 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.141 -0.974 . . . . 1.4199999999999999 109.462 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.083 -0.71 . . . . 1.6100000000000001 109.083 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -108.16 145.03 34.76 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.553 -0.717 . . . . 0.96999999999999997 109.515 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.99 138.99 42.83 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.338 -0.851 . . . . 0.59999999999999998 109.507 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 70.2 p -88.18 150.75 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.221 -0.925 . . . . 1.1000000000000001 108.805 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -145.92 131.73 19.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.209 -0.932 . . . . 1.1000000000000001 109.705 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.68 129.41 34.95 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.585 -0.894 . . . . 1.3600000000000001 108.585 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 120.49 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.489 -0.757 . . . . 1.1699999999999999 109.986 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -74.92 142.59 43.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 2.79 110.284 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 119.41 1.34 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.256 -1.138 . . . . 0.47999999999999998 110.256 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -62.51 -42.68 99.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -1.155 . . . . 3.2200000000000002 109.232 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.09 -41.48 92.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.108 -0.995 . . . . 2.21 109.042 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -60.04 -40.09 88.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.307 -0.871 . . . . 3.5499999999999998 109.262 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -58.48 -49.61 76.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.435 -0.791 . . . . 0.52000000000000002 109.619 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.89 -41.15 90.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.057 -1.027 . . . . 1.6799999999999999 108.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.16 -50.09 73.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.451 -0.78 . . . . 1.1499999999999999 109.585 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.81 -41.3 97.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -0.821 . . . . 0.33000000000000002 109.419 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.03 -42.31 89.87 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.108 -0.995 . . . . 3.02 108.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.303 -0.873 . . . . 1.75 108.778 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.71 -45.84 92.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 109.54 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.98 -49.2 78.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.038 -1.039 . . . . 1.21 109.47 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.413 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 85.7 tt0 -61.05 -40.26 92.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.413 -0.804 . . . . 1.6899999999999999 109.894 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -50.02 75.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 1.0600000000000001 109.831 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.5 -41.72 97.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.114 -0.991 . . . . 1.0800000000000001 109.276 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.17 -39.44 90.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 1.9299999999999999 109.098 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.88 -49.8 76.26 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.072 -0.714 . . . . 1.1399999999999999 109.072 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.457 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 34.8 ttmt -60.7 -40.37 91.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.323 -0.861 . . . . 2.1899999999999999 109.345 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -40.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.327 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.42 85.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.419 -0.801 . . . . 1.3100000000000001 109.551 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 78.1 mt-30 . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.17 -0.956 . . . . 1.3999999999999999 109.529 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.084 -0.71 . . . . 2.1099999999999999 109.084 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.49 144.92 37.08 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.474 -0.766 . . . . 1.01 109.57 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.3 138.87 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.327 -0.858 . . . . 0.57999999999999996 109.531 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -88.11 150.23 23.47 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.77 -0.826 . . . . 1.1599999999999999 108.77 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.41 131.49 19.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.177 -0.952 . . . . 1.1699999999999999 109.686 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.38 129.28 34.98 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.549 -0.908 . . . . 1.8100000000000001 108.549 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.06 121.47 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.308 -0.87 . . . . 1.1299999999999999 109.843 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -75.16 143.34 43.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.555 -0.716 . . . . 2.8199999999999998 110.254 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.95 119.71 1.25 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 110.381 -1.088 . . . . 0.45000000000000001 110.381 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -62.68 -43.42 98.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -1.076 . . . . 3.0800000000000001 109.194 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.93 -41.53 91.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.123 -0.986 . . . . 2.54 109.156 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.07 -39.79 87.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.481 -0.762 . . . . 4.1100000000000003 109.39 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -58.83 -49.63 76.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.56999999999999995 109.713 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -41.34 91.49 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.147 -0.971 . . . . 1.6599999999999999 108.681 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.0 -50.04 73.62 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.229 -0.919 . . . . 1.29 109.585 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.73 -40.57 95.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.40000000000000002 109.45 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.39 -42.66 92.24 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.407 -0.808 . . . . 3.8500000000000001 108.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.19 -47.22 86.88 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.327 -0.858 . . . . 1.78 108.842 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.77 -45.32 94.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 1.1699999999999999 109.614 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -60.02 -49.98 75.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 1.2 109.514 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' D' ' 33' ' ' LYS . 85.6 tt0 -60.33 -40.52 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.401 -0.812 . . . . 2.1200000000000001 109.946 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -49.83 76.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.089 -1.007 . . . . 1.0700000000000001 109.91 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.64 -41.99 98.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 1.1399999999999999 109.012 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.7 -39.63 89.23 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.89 . . . . 2.0899999999999999 109.142 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.41 -49.94 75.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.376 -0.827 . . . . 1.3799999999999999 109.148 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . 0.542 ' HZ2' ' CD ' ' D' ' 28' ' ' GLU . 35.5 ttmt -60.28 -40.17 89.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 2.6800000000000002 109.326 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.11 -40.01 88.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 1.3400000000000001 109.544 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.194 -0.941 . . . . 1.3 109.694 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.021 -0.733 . . . . 1.6699999999999999 109.021 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.47 144.38 37.78 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.394 -0.816 . . . . 1.01 109.693 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.45 140.46 44.88 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.367 -0.833 . . . . 0.63 109.506 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -89.24 151.04 22.36 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.783 -0.821 . . . . 1.1299999999999999 108.783 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.28 131.84 18.78 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.109 -0.994 . . . . 1.1000000000000001 109.559 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -83.81 129.49 34.94 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.613 -0.884 . . . . 1.3700000000000001 108.613 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.95 121.2 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.559 -0.713 . . . . 1.1499999999999999 109.799 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -75.23 142.99 43.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.588 -0.695 . . . . 2.77 110.078 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.58 119.93 1.2 Allowed Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.573 -1.011 . . . . 0.42999999999999999 110.573 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.433 -1.039 . . . . 3.1200000000000001 109.166 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.26 -40.89 91.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.903 . . . . 2.2200000000000002 108.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 3.5 109.32 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.59 -49.54 77.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.453 -0.78 . . . . 0.5 109.72 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.86 -40.89 90.17 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.955 -1.091 . . . . 1.6899999999999999 108.847 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 65.6 ttp -62.45 -50.07 72.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.402 -0.811 . . . . 1.1399999999999999 109.63 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.88 -40.37 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.472 -0.767 . . . . 0.32000000000000001 109.254 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.46 -42.69 92.56 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.298 -0.876 . . . . 2.96 108.851 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.14 -46.99 87.79 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 1.75 108.816 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -61.56 -46.22 90.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 1.0800000000000001 109.651 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -59.88 -50.09 75.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 1.22 109.428 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . 0.542 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 87.1 tt0 -60.08 -40.28 89.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.26 -0.9 . . . . 1.73 109.798 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.44 73.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.101 -0.999 . . . . 1.0700000000000001 109.903 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.73 -42.69 97.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.161 -0.962 . . . . 1.1100000000000001 109.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.25 -39.87 88.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.085 -1.01 . . . . 1.9099999999999999 109.174 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.858 . . . . 1.1699999999999999 108.873 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' C' ' 28' ' ' GLU . 35.5 ttmt -60.08 -40.25 88.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.2 -0.938 . . . . 2.1499999999999999 109.396 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.94 -40.09 87.76 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.133 -0.979 . . . . 1.4399999999999999 109.477 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.99 84.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 1.3 109.676 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 1.3999999999999999 109.455 -179.829 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.24 0.543 . . . . 1.7 109.538 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -100.69 140.99 34.18 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.568 -0.707 . . . . 1.04 109.564 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -130.17 140.28 50.78 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.449 -0.782 . . . . 0.65000000000000002 109.794 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -90.5 157.83 17.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 108.469 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.3 129.32 13.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 1.0900000000000001 109.532 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -84.52 128.68 34.72 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.318 -0.993 . . . . 1.3700000000000001 108.318 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.29 120.04 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.505 0.669 . . . . 1.1499999999999999 109.247 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 15' ' ' ARG . 38.4 ttt-85 -78.54 146.47 34.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.476 -0.765 . . . . 2.79 110.374 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 121.07 0.54 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.597 -1.001 . . . . 0.45000000000000001 110.597 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.15 -39.99 94.48 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.332 -1.099 . . . . 3.1600000000000001 109.157 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.81 -43.68 94.36 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.634 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 42.2 ttm180 -60.24 -40.6 90.81 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.116 -0.99 . . . . 3.54 108.595 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -59.99 -44.95 94.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.5 109.147 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -41.97 93.3 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 108.837 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -63.1 -52.43 62.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.529 -0.915 . . . . 1.1499999999999999 108.529 179.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.42 -39.97 89.34 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.643 -0.873 . . . . 0.34000000000000002 108.643 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' A' ' 24' ' ' ARG . 3.9 ttt-85 -58.27 -49.5 76.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.003 -0.74 . . . . 2.9399999999999999 109.003 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.282 -0.886 . . . . 1.74 109.475 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.23 -40.99 97.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 109.908 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.33 -50.18 74.64 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.949 -1.094 . . . . 1.22 109.394 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.94 -39.78 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.371 -0.83 . . . . 1.72 109.656 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.83 76.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.882 . . . . 1.0700000000000001 109.429 -179.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.13 -43.99 97.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 1.0800000000000001 109.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.12 93.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.307 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -49.45 77.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.815 . . . . 1.1499999999999999 109.317 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -60.44 -48.93 79.6 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.205 -0.934 . . . . 2.1400000000000001 109.545 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.408 -0.807 . . . . 1.4299999999999999 110.191 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 1.3 109.793 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.8 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.437 -0.789 . . . . 1.4199999999999999 109.974 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.449 -0.574 . . . . 1.6100000000000001 109.449 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -100.64 140.91 34.24 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.212 -0.93 . . . . 0.96999999999999997 109.627 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -130.68 139.37 50.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.415 -0.803 . . . . 0.59999999999999998 109.716 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.82 155.35 19.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.294 -0.879 . . . . 1.1000000000000001 108.71 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.23 129.63 15.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.964 -1.085 . . . . 1.1000000000000001 109.596 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.99 128.36 34.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.348 -0.982 . . . . 1.3600000000000001 108.348 179.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 119.55 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.428 -0.795 . . . . 1.1699999999999999 109.095 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -77.62 146.47 36.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.458 -0.776 . . . . 2.79 110.131 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.97 120.15 0.46 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.813 -0.915 . . . . 0.47999999999999998 110.813 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -61.09 -39.88 91.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.44 -1.035 . . . . 3.2200000000000002 109.059 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.95 -43.68 94.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 2.21 108.749 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.544 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.4 ttm180 -60.4 -40.75 92.06 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.59 -0.893 . . . . 3.5499999999999998 108.59 179.102 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.04 -45.18 93.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.335 -0.853 . . . . 0.52000000000000002 109.251 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -41.32 91.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.679 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 ttm -63.6 -52.1 62.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 108.526 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.07 -40.09 92.34 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.405 -0.961 . . . . 0.33000000000000002 108.405 179.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.461 ' HG2' HH11 ' B' ' 24' ' ' ARG . 3.2 ttt-85 -57.77 -49.89 75.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.537 -0.727 . . . . 3.02 109.117 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.13 -46.92 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 1.75 109.751 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.53 -41.67 98.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 109.729 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -60.12 -50.52 73.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 1.21 109.469 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 24' ' ' ARG . 0.3 OUTLIER -62.6 -39.7 94.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 1.6899999999999999 109.437 179.319 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.15 75.07 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.176 -0.952 . . . . 1.0600000000000001 109.476 -179.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.15 -44.65 97.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.991 -1.068 . . . . 1.0800000000000001 109.203 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.33 -39.89 92.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 1.9299999999999999 109.372 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.27 -49.58 77.03 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.423 -0.798 . . . . 1.1399999999999999 109.153 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -60.21 -48.85 79.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.211 -0.931 . . . . 2.1899999999999999 109.438 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.9 m-20 -59.75 -40.2 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 110.205 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.028 -1.045 . . . . 1.3100000000000001 109.984 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.8 mt-30 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.226 -0.921 . . . . 1.3999999999999999 110.057 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.428 -0.582 . . . . 2.1099999999999999 109.428 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.74 140.65 34.72 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.864 . . . . 1.01 109.83 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.01 138.23 49.56 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.436 -0.79 . . . . 0.57999999999999996 110.045 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.9 p -88.13 157.56 18.8 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.83 -0.804 . . . . 1.1599999999999999 108.83 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.46 129.15 13.21 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.07 -1.019 . . . . 1.1699999999999999 109.664 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.73 129.15 34.95 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.399 -0.963 . . . . 1.8100000000000001 108.399 178.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.23 119.92 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.459 -0.776 . . . . 1.1299999999999999 109.227 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -78.78 146.39 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.495 -0.753 . . . . 2.8199999999999998 110.231 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.0 120.65 0.48 Allowed Glycine 0 N--CA 1.491 2.345 0 C-N-CA 120.267 -0.968 . . . . 0.45000000000000001 110.787 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -61.28 -39.98 92.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.528 -0.984 . . . . 3.0800000000000001 109.218 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.11 -43.04 95.89 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.642 -0.873 . . . . 2.54 108.642 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -61.14 -40.7 94.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.29 -1.004 . . . . 4.1100000000000003 108.29 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.75 -45.76 91.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.56999999999999995 109.282 179.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.86 -41.97 92.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 1.6599999999999999 108.754 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -62.62 -52.4 63.5 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.422 -0.955 . . . . 1.29 108.422 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -60.55 -40.0 89.96 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.82 -0.807 . . . . 0.40000000000000002 108.82 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' C' ' 24' ' ' ARG . 3.9 ttt-85 -58.6 -48.89 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.497 -0.752 . . . . 3.8500000000000001 109.034 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.19 -48.14 82.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 1.78 109.322 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.65 -41.29 98.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 1.1699999999999999 109.98 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -60.06 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 1.2 109.587 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' C' ' 24' ' ' ARG . 0.4 OUTLIER -63.26 -39.2 93.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 2.1200000000000001 109.545 179.613 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.74 -50.45 73.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.323 -0.86 . . . . 1.0700000000000001 109.459 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.76 -45.73 93.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.982 -1.074 . . . . 1.1399999999999999 108.977 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.65 90.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 2.0899999999999999 109.739 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -49.44 77.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 1.3799999999999999 109.248 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.13 -48.82 80.13 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.202 -0.936 . . . . 2.6800000000000002 109.359 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.3 m-20 -59.86 -40.13 87.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.525 -0.734 . . . . 1.3400000000000001 110.428 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.239 -0.913 . . . . 1.3 110.004 -179.44 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.289 0.566 . . . . 1.6699999999999999 109.579 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.79 141.37 33.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.517 -0.739 . . . . 1.01 109.319 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.48 138.84 49.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.532 -0.73 . . . . 0.63 109.737 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.05 157.48 18.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.193 -0.942 . . . . 1.1299999999999999 108.581 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -148.97 130.06 14.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.899 -1.126 . . . . 1.1000000000000001 109.301 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -85.57 128.31 34.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.13 -0.981 . . . . 1.3700000000000001 108.421 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.12 119.08 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 1.1499999999999999 109.329 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -76.99 146.69 37.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.633 -0.667 . . . . 2.77 110.204 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.01 120.45 0.47 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.82 -0.912 . . . . 0.42999999999999999 110.82 178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -61.81 -39.89 93.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.495 -1.003 . . . . 3.1200000000000001 108.677 178.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -42.67 95.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.872 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.4 ttm180 -61.48 -40.43 94.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.026 -1.046 . . . . 3.5 108.593 179.088 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.98 -45.4 92.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.409 -0.807 . . . . 0.5 109.25 179.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -42.23 93.65 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.141 -0.975 . . . . 1.6899999999999999 108.621 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttm -62.12 -52.93 61.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.221 -0.924 . . . . 1.1399999999999999 108.529 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.53 -39.95 89.71 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.487 -0.931 . . . . 0.32000000000000001 108.487 179.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' D' ' 24' ' ' ARG . 3.6 ttt-85 -58.33 -49.57 76.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.401 -0.812 . . . . 2.96 109.076 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -47.72 84.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.322 -0.861 . . . . 1.75 109.548 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 1.0800000000000001 109.983 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -60.29 -49.84 76.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.035 -1.04 . . . . 1.22 109.572 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -39.79 95.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.462 -0.774 . . . . 1.73 109.285 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.24 -50.53 73.66 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.308 -0.87 . . . . 1.0700000000000001 109.339 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.76 -45.22 95.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.122 -0.986 . . . . 1.1100000000000001 108.999 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.56 -40.08 90.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.9099999999999999 110.005 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.2 -49.27 78.31 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.274 -0.891 . . . . 1.1699999999999999 109.379 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -60.4 -48.76 80.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 2.1499999999999999 109.475 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . 0.544 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.516 -0.74 . . . . 1.4399999999999999 110.04 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.81 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.22 -0.925 . . . . 1.3 110.108 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.3999999999999999 109.896 -179.553 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.365 0.602 . . . . 1.7 109.979 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.02 148.23 22.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 1.04 109.047 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -135.08 136.43 42.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.289 -0.882 . . . . 0.65000000000000002 109.605 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.88 151.92 22.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.336 -0.853 . . . . 1.1399999999999999 109.035 179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -146.84 131.15 17.52 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -0.956 . . . . 1.0900000000000001 109.676 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.66 129.99 34.97 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.4 -0.963 . . . . 1.3700000000000001 108.4 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 121.01 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 109.976 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.57 141.91 44.72 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.306 0.574 . . . . 2.79 110.339 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.37 126.28 0.95 Allowed Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.525 -1.03 . . . . 0.45000000000000001 110.525 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -66.57 -39.96 88.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.411 -1.052 . . . . 3.1600000000000001 109.32 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.06 -43.63 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.168 -0.957 . . . . 2.2200000000000002 109.331 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -60.12 -40.05 88.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 3.54 109.025 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.9 -48.92 79.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.5 109.469 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.31 -43.54 92.64 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.004 -1.06 . . . . 1.6599999999999999 108.724 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 63.6 ttp -61.2 -49.71 76.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.307 -0.871 . . . . 1.1499999999999999 109.178 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.86 -40.48 93.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.34000000000000002 109.189 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.36 -45.21 92.05 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.172 -0.955 . . . . 2.9399999999999999 108.562 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 1.74 108.899 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.01 -42.8 99.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.431 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.943 . . . . 1.22 109.696 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.71 -40.17 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.72 109.521 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.04 75.43 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.844 . . . . 1.0700000000000001 109.607 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.78 -44.44 96.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.082 -1.012 . . . . 1.0800000000000001 109.229 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.56 -40.52 91.92 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.197 -0.94 . . . . 1.9099999999999999 109.239 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.37 -45.07 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.361 -0.837 . . . . 1.1499999999999999 108.865 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.5 -41.11 93.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 2.1400000000000001 109.619 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 88.3 m-20 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.4299999999999999 109.943 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.07 -26.72 67.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 1.3 109.591 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 1.4199999999999999 109.735 -179.748 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.343 0.592 . . . . 1.6100000000000001 109.828 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.22 148.91 21.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.96999999999999997 109.051 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.45 136.95 41.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.856 . . . . 0.59999999999999998 109.617 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.22 151.79 21.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.235 -0.916 . . . . 1.1000000000000001 108.911 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -146.31 131.24 18.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.059 -1.025 . . . . 1.1000000000000001 109.538 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.83 130.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.457 -0.942 . . . . 1.3600000000000001 108.457 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -120.04 121.55 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.357 -0.839 . . . . 1.1699999999999999 110.098 -179.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -74.62 142.52 44.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.688 -0.632 . . . . 2.79 110.309 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.37 128.33 0.93 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.719 -0.952 . . . . 0.47999999999999998 110.719 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -68.1 -40.02 82.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.533 -0.981 . . . . 3.2200000000000002 109.361 179.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.02 -43.28 95.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 2.21 109.149 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.49 -39.94 89.53 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.447 -0.783 . . . . 3.5499999999999998 108.933 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.98 -49.38 77.91 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.522 -0.737 . . . . 0.52000000000000002 109.59 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.15 -43.8 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.702 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.79 -49.31 78.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.444 -0.785 . . . . 1.1499999999999999 109.221 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.66 -40.35 94.61 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.369 -0.832 . . . . 0.33000000000000002 109.029 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.116 -0.99 . . . . 3.02 108.676 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.61 85.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.357 -0.839 . . . . 1.75 109.004 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.85 -42.72 99.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 1.0700000000000001 109.444 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.89 -50.04 75.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 1.21 109.681 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.2 -40.06 96.42 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.904 . . . . 1.6899999999999999 109.447 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.02 75.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.35 -0.844 . . . . 1.0600000000000001 109.524 -179.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.7 -44.59 96.64 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.077 -1.015 . . . . 1.0800000000000001 109.247 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.422 ' CG ' HH12 ' D' ' 19' ' ' ARG . 98.2 mt-10 -60.44 -40.94 92.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.206 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.95 -45.44 94.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 1.1399999999999999 108.754 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.32 -40.75 91.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 2.1899999999999999 109.595 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 93.9 m-20 -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -0.856 . . . . 1.4299999999999999 109.957 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.97 67.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 1.3100000000000001 109.524 -179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 1.3999999999999999 109.664 -179.803 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.366 0.603 . . . . 2.1099999999999999 110.003 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.89 148.9 21.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 1.01 109.0 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.71 136.82 41.17 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.346 -0.846 . . . . 0.57999999999999996 109.625 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.21 152.25 21.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 1.1599999999999999 109.015 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.05 131.14 17.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 1.1699999999999999 109.532 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -83.49 130.21 35.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.188 -1.042 . . . . 1.8100000000000001 108.188 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.87 121.09 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.33 -0.857 . . . . 1.1299999999999999 110.033 -179.265 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -74.47 142.13 44.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.699 -0.626 . . . . 2.8199999999999998 110.407 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 126.34 0.87 Allowed Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.45000000000000001 110.648 178.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -66.52 -40.11 89.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -1.065 . . . . 3.0800000000000001 109.216 179.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.01 -43.39 95.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.134 -0.979 . . . . 2.54 109.111 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -60.29 -40.0 88.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.214 -0.928 . . . . 4.1100000000000003 108.974 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.12 -48.58 81.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.474 -0.766 . . . . 0.56999999999999995 109.505 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.1 -42.33 94.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.737 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.9 ttp -62.23 -48.91 77.86 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.394 -0.816 . . . . 1.29 109.176 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.92 -40.54 95.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.475 -0.766 . . . . 0.40000000000000002 109.146 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.24 -44.96 92.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.223 -0.923 . . . . 3.8500000000000001 108.791 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.12 -47.69 84.85 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.239 -0.913 . . . . 1.78 108.871 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.82 -42.18 99.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.292 -0.88 . . . . 1.1699999999999999 109.474 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.97 -49.92 75.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 1.2 109.665 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.46 -39.89 95.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.845 . . . . 2.1200000000000001 109.617 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.02 75.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 109.487 -179.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.48 -44.62 96.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 1.1399999999999999 109.34 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.78 -41.01 94.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.893 . . . . 2.0899999999999999 109.159 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.99 -45.34 95.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 1.3799999999999999 108.794 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.06 -40.82 90.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 2.6800000000000002 109.676 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -0.918 . . . . 1.3400000000000001 110.164 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.919 . . . . 1.3 109.591 -179.657 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.449 0.642 . . . . 1.6699999999999999 109.994 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -93.51 148.41 22.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 1.01 109.189 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.27 136.21 41.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.355 -0.84 . . . . 0.63 109.685 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -89.01 152.16 21.85 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.298 -0.877 . . . . 1.1299999999999999 108.891 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 tp -146.91 130.95 17.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 1.1000000000000001 109.57 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -83.35 130.12 35.03 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.398 -0.964 . . . . 1.3700000000000001 108.398 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.07 121.35 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 1.1499999999999999 109.909 -179.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.64 142.25 44.56 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.343 0.592 . . . . 2.77 110.302 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.83 127.74 0.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.616 -0.993 . . . . 0.42999999999999999 110.616 178.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.85 -39.96 83.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -1.033 . . . . 3.1200000000000001 109.233 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.05 -43.68 95.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.112 -0.993 . . . . 2.2200000000000002 109.031 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.0 ttm180 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.276 -0.89 . . . . 3.5 108.93 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.75 -48.68 80.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.403 -0.811 . . . . 0.5 109.678 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.88 -43.28 94.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.051 . . . . 1.6899999999999999 108.839 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -61.21 -49.78 75.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.405 -0.809 . . . . 1.1399999999999999 109.039 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.96 -40.4 93.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.335 -0.853 . . . . 0.32000000000000001 109.163 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.5 -44.8 93.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.474 -0.935 . . . . 2.96 108.474 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.14 -47.27 86.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.914 . . . . 1.75 108.88 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.47 -42.79 98.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.37 -0.831 . . . . 1.0800000000000001 109.478 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -60.01 -50.09 75.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.253 -0.905 . . . . 1.22 109.571 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.05 -40.1 96.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.23 -0.919 . . . . 1.73 109.523 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.92 75.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.377 -0.827 . . . . 1.0700000000000001 109.698 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.88 -44.04 97.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 1.1100000000000001 109.295 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -41.1 94.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.017 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.78 -45.35 94.7 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.271 -0.893 . . . . 1.1699999999999999 108.992 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.14 -41.3 92.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.442 -0.786 . . . . 2.1499999999999999 109.575 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 1.4399999999999999 109.994 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.19 67.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 1.3 109.528 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 1.3999999999999999 109.716 -179.928 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.516 0.674 . . . . 1.7 110.063 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -98.25 146.65 25.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.5 -0.75 . . . . 1.04 109.759 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -135.75 140.27 44.22 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.395 -0.816 . . . . 0.65000000000000002 109.884 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 p -89.72 151.37 21.88 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.293 -0.879 . . . . 1.1399999999999999 109.19 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.66 131.8 20.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.029 -1.045 . . . . 1.0900000000000001 109.572 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -83.17 128.36 34.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 109.039 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.56 120.51 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.458 -0.776 . . . . 1.1499999999999999 109.71 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.47 143.51 44.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.438 -0.789 . . . . 2.79 110.512 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.1 124.04 0.9 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.821 -0.912 . . . . 0.45000000000000001 110.821 178.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NH1' ' CD2' ' A' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -40.86 96.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -1.102 . . . . 3.1600000000000001 109.605 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -43.1 95.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 2.2200000000000002 109.109 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.67 -40.01 90.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.429 -0.795 . . . . 3.54 109.144 179.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CD2' ' NH1' ' A' ' 17' ' ' ARG . 49.3 t80 -59.61 -49.09 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.346 -0.846 . . . . 0.5 109.298 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.49 -40.03 85.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.168 -0.957 . . . . 1.6599999999999999 108.734 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -63.49 -50.04 71.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.54 -0.725 . . . . 1.1499999999999999 109.509 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.55 -40.01 95.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.34000000000000002 109.243 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -59.25 -43.38 92.42 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.334 -0.854 . . . . 2.9399999999999999 108.84 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.18 -46.58 89.21 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.273 -0.892 . . . . 1.74 108.808 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.85 -43.31 99.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.401 -0.812 . . . . 1.0700000000000001 109.345 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.96 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.22 108.955 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -40.11 94.44 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.487 -0.758 . . . . 1.72 109.499 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.58 77.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.221 -0.924 . . . . 1.0700000000000001 109.582 -179.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -44.04 97.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.004 -1.06 . . . . 1.0800000000000001 109.192 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -0.896 . . . . 1.9099999999999999 109.62 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.04 -48.67 80.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 109.097 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.379 -0.826 . . . . 2.1400000000000001 109.439 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 1.4299999999999999 109.953 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.04 93.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.059 -1.025 . . . . 1.3 109.358 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 79.6 mt-30 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 1.4199999999999999 109.821 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.418 0.628 . . . . 1.6100000000000001 109.751 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -98.14 147.09 24.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.477 -0.764 . . . . 0.96999999999999997 109.53 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -135.82 141.27 44.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.342 -0.849 . . . . 0.59999999999999998 109.736 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -90.85 152.13 20.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 1.1000000000000001 109.022 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -145.21 132.53 20.61 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 1.1000000000000001 109.327 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -83.95 127.92 34.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.337 -0.852 . . . . 1.3600000000000001 109.08 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.02 120.55 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.526 -0.734 . . . . 1.1699999999999999 109.735 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.33 144.15 44.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -0.786 . . . . 2.79 110.409 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 123.95 0.84 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 120.437 -0.887 . . . . 0.47999999999999998 110.924 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.605 ' NH1' ' CD2' ' B' ' 20' ' ' PHE . 27.0 tpt180 -64.99 -40.4 94.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -1.046 . . . . 3.2200000000000002 109.352 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.54 -43.33 97.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.148 -0.97 . . . . 2.21 108.947 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.41 -39.98 89.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.409 -0.807 . . . . 3.5499999999999998 109.009 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.605 ' CD2' ' NH1' ' B' ' 17' ' ' ARG . 49.9 t80 -59.22 -49.14 79.0 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -0.804 . . . . 0.52000000000000002 109.32 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.89 -40.21 87.96 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 1.6799999999999999 108.81 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 62.6 ttp -62.91 -50.13 72.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.356 -0.84 . . . . 1.1499999999999999 109.454 179.498 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.78 -40.34 96.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.33000000000000002 109.229 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -59.02 -43.69 91.6 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 3.02 108.743 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -46.37 89.75 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.316 -0.865 . . . . 1.75 108.992 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -43.06 99.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.26 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.265 -0.897 . . . . 1.21 109.161 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -39.94 93.4 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.593 -0.692 . . . . 1.6899999999999999 109.376 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.21 74.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.303 -0.873 . . . . 1.0600000000000001 109.686 -179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.05 -43.87 98.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.09 -1.006 . . . . 1.0800000000000001 109.207 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.46 -40.09 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.268 -0.895 . . . . 1.9299999999999999 109.629 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.08 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 1.1399999999999999 108.938 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 2.1899999999999999 109.451 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.2 m-20 -59.9 -40.05 87.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 1.4299999999999999 109.677 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.06 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.056 -1.028 . . . . 1.3100000000000001 109.641 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.45 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 79.2 mt-30 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 1.3999999999999999 109.784 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.456 0.646 . . . . 2.1099999999999999 109.911 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.27 146.77 25.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.488 -0.758 . . . . 1.01 109.695 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.86 140.5 44.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.321 -0.862 . . . . 0.57999999999999996 109.952 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 46.3 p -89.61 151.58 21.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.384 -0.822 . . . . 1.1599999999999999 109.078 179.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.87 131.79 20.24 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 1.1699999999999999 109.193 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -83.16 128.47 34.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.827 . . . . 1.8100000000000001 109.048 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.63 121.4 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.518 -0.739 . . . . 1.1299999999999999 109.82 -179.296 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -75.2 143.08 43.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.44 -0.787 . . . . 2.8199999999999998 110.652 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 124.89 0.98 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.752 -0.939 . . . . 0.45000000000000001 110.752 178.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . 0.578 ' NH1' ' CD2' ' C' ' 20' ' ' PHE . 27.0 tpt180 -65.18 -40.65 94.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.306 -1.114 . . . . 3.0800000000000001 109.385 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -43.52 95.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 2.54 109.109 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.44 -39.98 89.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.313 -0.867 . . . . 4.1100000000000003 109.144 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.578 ' CD2' ' NH1' ' C' ' 17' ' ' ARG . 48.1 t80 -59.37 -48.91 79.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.56999999999999995 109.372 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.91 -40.32 88.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.11 -0.994 . . . . 1.6599999999999999 108.77 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 62.6 ttp -63.03 -50.1 72.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.446 -0.784 . . . . 1.29 109.447 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.32 -40.55 96.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.458 -0.776 . . . . 0.40000000000000002 109.28 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -58.95 -43.4 91.27 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 3.8500000000000001 108.999 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.06 -46.56 89.16 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.402 -0.811 . . . . 1.78 108.855 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 1.1699999999999999 109.404 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.96 -49.93 75.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.286 -0.884 . . . . 1.2 109.054 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.13 -39.93 94.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 2.1200000000000001 109.442 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.22 -50.05 75.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 1.0700000000000001 109.649 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.61 -43.67 98.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.086 -1.009 . . . . 1.1399999999999999 109.054 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.288 -0.883 . . . . 2.0899999999999999 109.746 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.08 -48.97 79.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 1.3799999999999999 109.067 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -59.95 -40.1 87.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.552 -0.717 . . . . 2.6800000000000002 109.319 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.61 -40.0 86.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 1.3400000000000001 109.898 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 1.3 109.619 -179.738 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.493 0.663 . . . . 1.6699999999999999 109.936 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -98.05 146.96 25.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.557 -0.715 . . . . 1.01 109.723 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -135.85 141.29 44.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.397 -0.814 . . . . 0.63 109.705 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 46.0 p -91.05 151.85 20.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.368 -0.832 . . . . 1.1299999999999999 108.989 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -144.65 132.5 21.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.235 -0.916 . . . . 1.1000000000000001 109.301 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -83.78 128.0 34.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.169 -0.957 . . . . 1.3700000000000001 108.87 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.12 121.02 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.548 -0.72 . . . . 1.1499999999999999 109.613 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.53 143.53 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.808 . . . . 2.77 110.381 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.17 123.78 0.89 Allowed Glycine 0 N--CA 1.494 2.522 0 O-C-N 121.232 -0.918 . . . . 0.42999999999999999 110.852 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 17' ' ' ARG . . . . . 0.569 ' NH1' ' CD2' ' D' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -41.01 96.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.461 -1.023 . . . . 3.1200000000000001 109.367 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -43.2 95.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.125 -0.984 . . . . 2.2200000000000002 109.245 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 19' ' ' ARG . . . . . 0.461 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.0 ttm180 -60.73 -40.03 90.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.36 -0.837 . . . . 3.5 109.017 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' NH1' ' D' ' 17' ' ' ARG . 45.9 t80 -59.39 -48.96 79.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.344 -0.847 . . . . 0.5 109.235 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.92 -40.28 88.32 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.001 -1.062 . . . . 1.6899999999999999 108.592 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 61.6 ttp -62.81 -50.0 72.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.377 -0.827 . . . . 1.1399999999999999 109.474 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.79 -40.38 97.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.444 -0.785 . . . . 0.32000000000000001 109.305 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -59.23 -43.46 92.36 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 2.96 108.86 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -46.16 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 1.75 108.997 179.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.43 -43.32 97.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.88 . . . . 1.0800000000000001 109.342 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.97 -50.01 75.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.301 -0.874 . . . . 1.22 109.002 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.9 94.09 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.37 -0.831 . . . . 1.73 109.452 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.99 75.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.311 -0.868 . . . . 1.0700000000000001 109.582 -179.45 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.49 -43.79 98.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.054 -1.029 . . . . 1.1100000000000001 109.15 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.52 -40.06 90.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.637 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.96 -48.91 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.906 . . . . 1.1699999999999999 109.052 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -59.96 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.397 -0.814 . . . . 2.1499999999999999 109.465 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.87 -40.04 87.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.4399999999999999 109.936 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.01 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 1.3 109.329 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 1.3999999999999999 109.827 -179.643 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.784 ' H3 ' ' HZ2' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 108.353 -0.981 . . . . 8.8399999999999999 108.353 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.784 ' HZ2' ' H3 ' ' A' ' 1' ' ' LYS . 1.3 mptp? 58.21 -39.39 0.05 Allowed 'General case' 0 N--CA 1.506 2.368 0 CA-C-O 121.219 0.533 . . . . 8.5099999999999998 110.282 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.685 ' N ' ' O ' ' A' ' 1' ' ' LYS . 7.1 mtmp? 54.83 151.5 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 113.635 0.976 . . . . 8.7899999999999991 113.635 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -78.02 -170.62 1.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 102.269 -3.781 . . . . 5.2400000000000002 102.269 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 mt -88.75 116.72 27.22 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 106.355 -1.72 . . . . 5.7400000000000002 106.355 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.74 161.62 29.41 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.765 -1.198 . . . . 3.4199999999999999 107.765 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.86 139.1 46.23 Favored Glycine 0 N--CA 1.482 1.715 0 N-CA-C 108.032 -2.027 . . . . 1.21 108.032 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.81 131.97 36.05 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.483 -1.01 . . . . 1.76 108.32 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -89.47 144.18 26.24 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.494 -0.754 . . . . 0.97999999999999998 109.831 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.3 143.13 49.67 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.742 -0.836 . . . . 0.55000000000000004 108.742 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.54 153.49 17.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.905 -1.146 . . . . 1.0600000000000001 107.905 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -145.62 130.47 18.16 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.218 -0.926 . . . . 1.0900000000000001 109.268 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.22 127.4 33.14 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.357 -0.979 . . . . 1.5 108.357 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.97 119.99 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.623 -0.88 . . . . 1.04 108.623 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.36 148.41 35.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.687 -0.633 . . . . 2.6899999999999999 109.35 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 115.57 0.34 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.5 -1.04 . . . . 0.40000000000000002 110.5 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.3 -39.91 88.65 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.456 -1.026 . . . . 3.3100000000000001 109.116 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.31 -46.47 86.08 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.575 -0.898 . . . . 2.1699999999999999 108.575 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.1 -39.82 87.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.646 -0.659 . . . . 2.4100000000000001 109.251 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.17 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.212 -0.93 . . . . 0.29999999999999999 109.792 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.35 -41.02 88.23 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.053 -1.029 . . . . 1.1699999999999999 108.317 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.51 -50.09 70.98 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.534 -0.729 . . . . 1.3300000000000001 109.741 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.82 -39.96 93.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.425 -0.797 . . . . 1.1699999999999999 109.267 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.06 -43.7 91.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.99 -1.069 . . . . 2.7599999999999998 109.584 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.84 88.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.174 -0.954 . . . . 1.4399999999999999 109.092 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.22 -40.23 95.44 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.357 -0.979 . . . . 1.0900000000000001 108.357 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.58 -56.43 19.97 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.59 0.709 . . . . 1.4099999999999999 109.885 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.5 -39.98 89.7 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.551 -0.718 . . . . 2.1600000000000001 109.388 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.14 81.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.374 -0.829 . . . . 1.05 109.371 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 84.7 mt -64.25 -41.99 96.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 1.0600000000000001 109.572 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.18 -39.78 87.67 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 1.5800000000000001 109.622 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.509 ' CD1' HE22 ' B' ' 36' ' ' GLN . 21.6 tp -60.78 -47.98 83.85 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.259 -0.9 . . . . 1.3400000000000001 109.107 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.57 -40.57 92.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.267 -0.896 . . . . 1.8899999999999999 108.766 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.83 86.5 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.232 0.539 . . . . 1.24 109.65 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.56 95.87 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.528 -0.915 . . . . 1.25 108.528 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.518 HE22 ' CD1' ' B' ' 32' ' ' LEU . 17.1 mt-30 -77.4 -30.03 53.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 2.29 108.851 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -65.55 -29.79 70.46 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.175 -1.417 . . . . 1.4299999999999999 107.175 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.04 6.02 4.3 Favored Glycine 0 N--CA 1.482 1.765 0 N-CA-C 108.438 -1.865 . . . . 1.76 108.438 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 37' ' ' ALA . 19.8 tttm -78.91 136.77 37.37 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.246 -1.15 . . . . 4.1799999999999997 108.682 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.5 150.76 43.12 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.694 -0.629 . . . . 5.7400000000000002 109.93 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.61 158.99 14.7 Favored 'Trans proline' 0 C--N 1.322 -0.865 0 N-CA-C 107.637 -1.717 . . . . 5.5899999999999999 107.637 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.28 -1.528 . . . . 7.21 109.28 -179.505 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.79 ' H3 ' ' HZ2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 108.369 -0.974 . . . . 8.8000000000000007 108.369 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.79 ' HZ2' ' H3 ' ' B' ' 1' ' ' LYS . 1.3 mptp? 58.27 -39.45 0.06 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.776 -0.578 . . . . 8.4700000000000006 110.268 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.676 ' N ' ' O ' ' B' ' 1' ' ' LYS . 7.1 mtmp? 54.85 151.54 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 N-CA-C 113.666 0.987 . . . . 8.8300000000000001 113.666 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -78.1 -170.67 1.01 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 N-CA-C 102.256 -3.786 . . . . 5.2199999999999998 102.256 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 63.0 mt -88.76 116.6 27.14 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 106.413 -1.699 . . . . 5.7400000000000002 106.413 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -69.89 160.01 32.62 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.917 -1.142 . . . . 3.48 107.917 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.05 138.75 38.39 Favored Glycine 0 N--CA 1.483 1.815 0 N-CA-C 108.358 -1.897 . . . . 1.26 108.358 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.16 132.14 37.98 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.411 -1.052 . . . . 1.75 108.24 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.52 144.17 26.24 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.505 -0.747 . . . . 0.98999999999999999 109.898 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.25 143.09 49.67 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.748 -0.834 . . . . 0.56999999999999995 108.748 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.5 153.44 17.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.951 -1.129 . . . . 1.0800000000000001 107.951 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.6 tp -145.6 130.56 18.26 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.28 127.48 33.25 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.29 -1.004 . . . . 1.47 108.29 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.4 mt -120.09 120.01 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.646 -0.872 . . . . 1.05 108.646 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.39 148.39 35.55 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.43 -0.582 . . . . 2.6899999999999999 109.43 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.94 115.57 0.34 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.45 -1.06 . . . . 0.38 110.45 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.16 -40.06 88.57 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.52 -0.988 . . . . 3.3300000000000001 109.118 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.23 -46.49 85.83 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.576 -0.898 . . . . 2.1400000000000001 108.576 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.09 -39.82 87.48 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.59 -0.693 . . . . 2.3999999999999999 109.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.18 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.28000000000000003 109.806 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.18 -41.07 87.61 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.029 -1.044 . . . . 1.1799999999999999 108.411 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.59 -49.98 71.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.561 -0.712 . . . . 1.3100000000000001 109.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.89 93.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.404 -0.81 . . . . 1.1699999999999999 109.311 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.11 -43.67 91.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.053 -1.03 . . . . 2.7799999999999998 109.597 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.05 -46.87 88.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 1.4399999999999999 109.104 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.25 -40.2 95.4 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.295 -1.002 . . . . 1.0600000000000001 108.295 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.68 -56.34 20.74 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.572 0.701 . . . . 1.3999999999999999 109.91 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.87 89.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.602 -0.686 . . . . 2.1600000000000001 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.12 81.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.354 -0.841 . . . . 1.04 109.352 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' B' ' 34' ' ' ASP . 84.7 mt -64.22 -42.03 96.77 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 1.04 109.475 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -60.13 -40.19 88.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.204 -0.935 . . . . 1.5700000000000001 109.38 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.518 ' CD1' HE22 ' A' ' 36' ' ' GLN . 21.6 tp -60.53 -47.98 83.76 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.247 -0.908 . . . . 1.3700000000000001 109.182 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.66 -40.38 91.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.31 -0.869 . . . . 1.9099999999999999 108.741 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 30' ' ' LEU . 1.1 m-20 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.804 -0.56 . . . . 1.25 109.56 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.55 95.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.255 -0.903 . . . . 1.25 108.711 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.509 HE22 ' CD1' ' A' ' 32' ' ' LEU . 17.0 mt-30 -77.54 -29.92 52.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.2799999999999998 108.825 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.508 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -65.59 -29.78 70.42 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.159 -1.423 . . . . 1.48 107.159 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.11 6.06 4.35 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 108.404 -1.879 . . . . 1.77 108.404 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' B' ' 37' ' ' ALA . 19.8 tttm -78.88 136.8 37.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -1.12 . . . . 4.1799999999999997 108.732 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.47 150.73 43.03 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.677 -0.639 . . . . 5.7999999999999998 109.934 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.56 158.92 14.76 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 N-CA-C 107.66 -1.708 . . . . 5.5199999999999996 107.66 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.405 0 N-CA-C 109.238 -1.545 . . . . 7.1100000000000003 109.238 -179.536 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.783 ' H3 ' ' HZ2' ' C' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 108.392 -0.966 . . . . 8.8300000000000001 108.392 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.783 ' HZ2' ' H3 ' ' C' ' 1' ' ' LYS . 1.3 mptp? 58.14 -39.31 0.05 Allowed 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.77 -0.581 . . . . 8.4499999999999993 110.283 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.688 ' N ' ' O ' ' C' ' 1' ' ' LYS . 7.1 mtmp? 54.77 151.53 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 113.71 1.004 . . . . 8.8000000000000007 113.71 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -78.05 -170.66 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 N-CA-C 102.248 -3.789 . . . . 5.2599999999999998 102.248 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 63.0 mt -88.76 116.68 27.2 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 106.435 -1.691 . . . . 5.7300000000000004 106.435 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -69.86 160.67 31.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.855 -1.165 . . . . 3.46 107.855 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.25 138.87 42.39 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.194 -1.962 . . . . 1.25 108.194 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -52.84 132.02 36.28 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.48 -1.012 . . . . 1.77 108.316 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.51 144.15 26.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.452 -0.78 . . . . 0.98999999999999999 109.875 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.31 143.12 49.65 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.708 -0.849 . . . . 0.58999999999999997 108.708 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p -94.42 153.5 17.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.928 -1.138 . . . . 1.0900000000000001 107.928 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.7 130.51 18.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.162 -0.961 . . . . 1.0800000000000001 109.217 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.28 127.41 33.18 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.292 -1.003 . . . . 1.48 108.292 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -119.98 120.11 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.615 -0.884 . . . . 1.05 108.615 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.41 148.35 35.53 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.724 -0.61 . . . . 2.6600000000000001 109.408 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.98 115.57 0.35 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.464 -1.054 . . . . 0.40999999999999998 110.464 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.37 -39.85 88.69 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.461 -1.023 . . . . 3.3300000000000001 109.073 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.53 86.0 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.587 -0.894 . . . . 2.1600000000000001 108.587 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.573 -0.704 . . . . 2.3999999999999999 109.267 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.13 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.28999999999999998 109.794 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.34 -40.96 88.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.048 -1.033 . . . . 1.21 108.305 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 47.0 ttp -63.59 -50.0 71.15 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.547 -0.721 . . . . 1.3200000000000001 109.757 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.94 93.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.362 -0.836 . . . . 1.1799999999999999 109.249 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.05 -43.75 91.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.989 -1.07 . . . . 2.75 109.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 1.46 109.052 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.24 -40.2 95.37 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.297 -1.001 . . . . 1.0800000000000001 108.297 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.65 -56.38 20.39 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.645 0.736 . . . . 1.3899999999999999 109.852 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.66 -39.78 89.66 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.53 -0.731 . . . . 2.1699999999999999 109.422 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.15 81.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.35 -0.844 . . . . 1.05 109.397 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.432 ' O ' ' OD1' ' C' ' 34' ' ' ASP . 84.5 mt -64.39 -41.82 96.45 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.036 -1.04 . . . . 1.0700000000000001 109.505 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.37 -39.82 88.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.252 -0.905 . . . . 1.5600000000000001 109.451 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . 0.487 ' CD1' HE22 ' D' ' 36' ' ' GLN . 21.5 tp -60.75 -47.95 84.0 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 1.3500000000000001 109.115 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.62 -40.45 91.93 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.312 -0.867 . . . . 1.8899999999999999 108.779 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' C' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.91 86.76 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.314 0.578 . . . . 1.24 109.66 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.53 95.7 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.239 -0.913 . . . . 1.27 108.563 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . 0.499 HE22 ' CD1' ' D' ' 32' ' ' LEU . 17.1 mt-30 -77.48 -29.95 52.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 2.2999999999999998 108.83 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -65.59 -29.75 70.39 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.132 -1.433 . . . . 1.49 107.132 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.17 6.12 4.39 Favored Glycine 0 N--CA 1.483 1.789 0 N-CA-C 108.437 -1.865 . . . . 1.77 108.437 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' C' ' 37' ' ' ALA . 19.8 tttm -78.92 136.77 37.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.255 -1.144 . . . . 4.2199999999999998 108.683 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.52 150.72 43.55 Favored Pre-proline 0 C--N 1.3 -1.567 0 O-C-N 121.619 -0.675 . . . . 5.7800000000000002 109.923 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.59 158.93 14.8 Favored 'Trans proline' 0 C--N 1.32 -0.926 0 N-CA-C 107.659 -1.708 . . . . 5.5199999999999996 107.659 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.26 -1.536 . . . . 7.1200000000000001 109.26 -179.479 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.786 ' H3 ' ' HZ2' ' D' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 108.369 -0.974 . . . . 8.8499999999999996 108.369 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.786 ' HZ2' ' H3 ' ' D' ' 1' ' ' LYS . 1.3 mptp? 58.19 -39.35 0.05 Allowed 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.216 0.532 . . . . 8.5 110.306 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.68 ' N ' ' O ' ' D' ' 1' ' ' LYS . 7.1 mtmp? 54.76 151.54 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 N-CA-C 113.644 0.979 . . . . 8.8200000000000003 113.644 177.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -78.06 -170.58 0.99 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 N-CA-C 102.248 -3.789 . . . . 5.2699999999999996 102.248 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.78 116.63 27.19 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.406 -1.702 . . . . 5.75 106.406 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -69.82 160.73 31.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.869 -1.16 . . . . 3.4700000000000002 107.869 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.25 138.81 42.5 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.233 -1.947 . . . . 1.24 108.233 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -52.81 132.02 36.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.406 -1.055 . . . . 1.8 108.361 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -89.55 144.21 26.2 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.528 -0.732 . . . . 1.0 109.867 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.29 143.12 49.68 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.751 -0.833 . . . . 0.59999999999999998 108.751 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -94.56 153.46 17.87 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.896 -1.149 . . . . 1.0600000000000001 107.896 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.65 130.56 18.2 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.196 -0.94 . . . . 1.1000000000000001 109.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.29 127.51 33.28 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.255 -1.016 . . . . 1.5 108.255 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.04 119.94 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.643 -0.873 . . . . 1.05 108.643 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.35 148.33 35.66 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.766 -0.584 . . . . 2.6800000000000002 109.469 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.04 115.59 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.425 -1.07 . . . . 0.40000000000000002 110.425 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.32 -39.89 88.67 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.511 -0.994 . . . . 3.2999999999999998 109.117 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.43 86.19 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.599 -0.889 . . . . 2.1400000000000001 108.599 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.05 -39.91 87.63 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.627 -0.671 . . . . 2.3900000000000001 109.263 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.14 -48.62 80.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.29999999999999999 109.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.37 -41.01 88.29 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.052 -1.03 . . . . 1.1799999999999999 108.321 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.54 -50.08 70.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.629 -0.669 . . . . 1.3300000000000001 109.75 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.81 -40.02 93.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.401 -0.812 . . . . 1.1699999999999999 109.25 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -58.98 -43.69 91.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.037 . . . . 2.7599999999999998 109.607 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.135 -0.978 . . . . 1.4199999999999999 109.025 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.21 -40.25 95.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.261 -1.014 . . . . 1.0800000000000001 108.261 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.61 -56.38 20.48 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.565 0.698 . . . . 1.4099999999999999 109.902 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.5 -40.02 89.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.611 -0.681 . . . . 2.1699999999999999 109.394 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.13 81.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.336 -0.853 . . . . 1.0600000000000001 109.385 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . 0.433 ' O ' ' OD1' ' D' ' 34' ' ' ASP . 84.8 mt -64.2 -42.11 96.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.011 -1.056 . . . . 1.0700000000000001 109.438 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.005 . . . . 1.5700000000000001 109.546 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.499 ' CD1' HE22 ' C' ' 36' ' ' GLN . 21.7 tp -60.66 -48.02 83.64 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.325 -0.86 . . . . 1.3500000000000001 109.076 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.54 -40.49 91.75 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.249 -0.907 . . . . 1.8999999999999999 108.764 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' D' ' 30' ' ' LEU . 1.1 m-20 -59.81 -40.1 87.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.234 0.54 . . . . 1.26 109.576 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.6 95.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.263 -0.898 . . . . 1.25 108.578 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . 0.487 HE22 ' CD1' ' C' ' 32' ' ' LEU . 17.1 mt-30 -77.46 -30.01 53.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 2.2799999999999998 108.784 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.49 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -65.52 -29.78 70.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.153 -1.425 . . . . 1.47 107.153 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.15 6.07 4.41 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.411 -1.875 . . . . 1.74 108.411 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' D' ' 37' ' ' ALA . 19.8 tttm -78.86 137.28 37.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.29 -1.123 . . . . 4.1900000000000004 108.656 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -58.15 150.24 53.03 Favored Pre-proline 0 C--N 1.3 -1.576 0 O-C-N 121.703 -0.623 . . . . 5.75 109.99 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.21 158.95 13.71 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 N-CA-C 107.605 -1.729 . . . . 5.5700000000000003 107.605 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.424 0 N-CA-C 109.242 -1.543 . . . . 7.1699999999999999 109.242 -179.52 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.242 -0.651 . . . . 7.6600000000000001 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.8 mttp 51.88 42.03 29.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -0.792 . . . . 7.5099999999999998 110.019 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 51.19 72.32 1.26 Allowed Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.915 -1.116 . . . . 6.8099999999999996 109.183 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -60.4 -80.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.782 1.654 . . . . 5.1500000000000004 110.567 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.33 114.61 16.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 4.7000000000000002 109.452 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -82.46 130.61 35.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 2.48 109.491 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -69.3 139.88 32.95 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 108.434 -1.867 . . . . 1.0800000000000001 108.434 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.02 126.95 29.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.046 -1.267 . . . . 1.7 109.362 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 98.3 m-85 -110.14 147.4 33.76 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.593 -0.692 . . . . 1.04 109.421 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -138.1 137.08 37.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.366 -0.834 . . . . 0.65000000000000002 109.701 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.51 155.02 19.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 1.1399999999999999 109.067 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.1 tp -147.04 130.75 16.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.101 -0.999 . . . . 1.0900000000000001 109.247 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -84.01 127.1 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.747 -0.835 . . . . 1.3700000000000001 108.747 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.56 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.275 -0.891 . . . . 1.1499999999999999 109.264 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -77.72 145.28 36.65 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.47 -0.769 . . . . 2.79 110.443 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 117.18 1.05 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.6 -1.0 . . . . 0.45000000000000001 110.6 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -65.33 -42.22 93.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.188 -1.183 . . . . 3.1600000000000001 109.296 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.65 -40.19 91.11 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.808 -1.182 . . . . 2.2200000000000002 107.946 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.471 HH22 ' CG ' ' C' ' 34' ' ' ASP . 38.0 ttm180 -61.85 -38.02 86.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 3.54 108.771 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.44 -45.24 92.15 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.018 -1.051 . . . . 0.5 109.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.56 -40.79 88.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.115 -0.991 . . . . 1.6599999999999999 109.236 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -60.79 -49.66 76.58 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.704 -0.85 . . . . 1.1499999999999999 108.704 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.71 -39.61 92.1 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.611 -0.885 . . . . 0.34000000000000002 108.611 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.81 -46.96 83.94 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.534 -0.913 . . . . 2.9399999999999999 108.534 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.24 -47.19 87.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.487 -0.758 . . . . 1.74 109.153 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.06 -45.55 94.29 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.191 -0.943 . . . . 1.0700000000000001 109.089 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.31 -49.73 76.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.339 -0.851 . . . . 1.22 109.343 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.2 -40.88 95.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 1.72 109.758 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.84 -50.2 74.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.92 . . . . 1.0700000000000001 110.11 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.37 -43.48 98.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.128 -0.983 . . . . 1.0800000000000001 109.474 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -40.78 90.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.071 -1.018 . . . . 1.9099999999999999 109.383 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.128 -1.064 . . . . 1.1499999999999999 108.128 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.72 -40.48 92.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.514 -0.741 . . . . 2.1400000000000001 109.113 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.35 -40.45 90.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.39 -0.819 . . . . 1.4299999999999999 109.666 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.73 68.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.492 -0.755 . . . . 1.3 109.312 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -73.8 -26.67 60.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.361 -0.837 . . . . 1.4199999999999999 109.211 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -67.89 -7.7 30.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.5800000000000001 109.241 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.72 7.71 13.14 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.293 -1.523 . . . . 1.54 109.293 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' A' ' 37' ' ' ALA . 88.0 tttt -83.51 134.55 34.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.331 -1.099 . . . . 4.5499999999999998 109.408 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -57.42 148.97 51.91 Favored Pre-proline 0 C--N 1.304 -1.373 0 O-C-N 121.229 -0.919 . . . . 5.71 109.059 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.95 174.75 0.28 Allowed 'Trans proline' 0 C--N 1.323 -0.798 0 C-N-CA 121.012 1.142 . . . . 6.0899999999999999 109.7 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.395 -1.482 . . . . 7.2400000000000002 109.395 179.63 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.151 -0.685 . . . . 7.6699999999999999 109.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 52.56 41.88 31.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.541 -0.724 . . . . 7.46 109.897 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 tttp 52.03 71.44 1.48 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.059 -1.025 . . . . 6.79 109.261 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.77 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.046 0 C-N-CA 121.758 1.638 . . . . 5.1500000000000004 110.653 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.46 115.01 16.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.888 -1.133 . . . . 4.6600000000000001 109.451 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -81.97 130.1 34.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.384 -0.823 . . . . 2.4700000000000002 109.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.528 ' O ' ' CD2' ' B' ' 9' ' ' TYR . . . -69.31 140.06 33.22 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.784 -1.726 . . . . 1.0600000000000001 108.784 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.43 126.74 28.43 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.057 -1.261 . . . . 1.6100000000000001 109.247 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 7' ' ' GLY . 98.1 m-85 -110.41 146.16 36.35 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.299 -0.63 . . . . 0.96999999999999997 109.299 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.81 137.93 38.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.39 -0.819 . . . . 0.59999999999999998 109.543 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.5 p -89.38 155.13 19.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 1.1000000000000001 109.069 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.34 130.52 16.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.039 -1.038 . . . . 1.1000000000000001 109.312 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -83.95 126.56 33.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 108.801 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.16 120.16 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 121.491 -0.756 . . . . 1.1699999999999999 109.451 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -78.2 144.25 36.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 2.79 110.466 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.58 115.92 1.14 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.714 -0.955 . . . . 0.47999999999999998 110.714 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.403 HH11 ' HG2' ' B' ' 17' ' ' ARG . 39.5 ttt-85 -63.51 -42.91 98.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -1.185 . . . . 3.2200000000000002 109.163 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.04 -40.94 91.15 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.794 -1.191 . . . . 2.21 107.964 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.461 HH22 ' CG ' ' D' ' 34' ' ' ASP . 38.6 ttm180 -60.67 -38.79 86.1 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.87 -0.789 . . . . 3.5499999999999998 108.87 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -59.11 -45.39 91.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.397 -0.814 . . . . 0.52000000000000002 110.116 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.91 -40.78 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.017 -1.052 . . . . 1.6799999999999999 109.092 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.1 ttp -60.15 -50.07 75.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.837 -0.801 . . . . 1.1499999999999999 108.837 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.91 -39.49 92.19 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.824 -0.806 . . . . 0.33000000000000002 108.824 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -57.69 -46.92 83.69 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.412 -0.959 . . . . 3.02 108.412 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.89 -46.71 88.45 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.069 -0.715 . . . . 1.75 109.069 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.66 -46.31 90.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.178 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.0 -49.65 76.85 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.195 -0.94 . . . . 1.21 109.285 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.01 -40.33 93.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 1.6899999999999999 109.607 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.65 -50.9 71.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.269 -0.894 . . . . 1.0600000000000001 109.76 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.82 -43.5 98.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.061 -1.024 . . . . 1.0800000000000001 109.62 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -40.26 88.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 1.9299999999999999 109.533 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.41 -47.14 87.39 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.998 -1.112 . . . . 1.1399999999999999 107.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.23 -40.69 91.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.376 -0.828 . . . . 2.1899999999999999 108.952 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -60.05 -40.84 90.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 1.4299999999999999 109.566 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.94 67.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.548 -0.72 . . . . 1.3100000000000001 109.34 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -74.02 -26.61 60.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.3999999999999999 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -68.07 -8.87 41.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 1.5700000000000001 109.188 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.16 6.85 9.1 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.159 -1.577 . . . . 1.53 109.159 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' B' ' 37' ' ' ALA . 88.7 tttt -82.65 134.47 35.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -1.084 . . . . 4.5800000000000001 109.268 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.82 148.61 57.69 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 5.6799999999999997 109.278 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.18 174.35 0.23 Allowed 'Trans proline' 0 C--N 1.324 -0.729 0 C-N-CA 120.948 1.098 . . . . 6.0499999999999998 109.682 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.015 -1.436 . . . . 7.2000000000000002 109.582 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.392 0.615 . . . . 9.2200000000000006 109.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 51.52 42.53 29.53 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.255 -0.903 . . . . 8.5099999999999998 110.229 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 51.23 73.07 1.04 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.029 -1.044 . . . . 7.4199999999999999 109.064 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.79 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.871 0 C-N-CA 121.839 1.693 . . . . 5.0499999999999998 110.448 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.87 114.74 17.02 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.896 -1.128 . . . . 5.1399999999999997 109.434 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -82.12 130.46 35.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.362 -0.836 . . . . 2.8500000000000001 109.459 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . 0.53 ' O ' ' CD2' ' C' ' 9' ' ' TYR . . . -69.31 139.65 32.55 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.589 -1.805 . . . . 1.27 108.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.81 127.35 30.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.82 -1.4 . . . . 2.1099999999999999 109.412 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' C' ' 7' ' ' GLY . 98.3 m-85 -110.98 145.75 37.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 1.01 109.261 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -136.83 136.91 39.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.405 -0.809 . . . . 0.57999999999999996 109.38 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 69.4 p -88.48 154.85 20.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.839 . . . . 1.1599999999999999 108.947 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -147.04 131.15 17.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.267 -0.895 . . . . 1.1699999999999999 109.185 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.46 127.25 33.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.286 -0.884 . . . . 1.8100000000000001 109.06 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.19 120.07 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.34 -0.85 . . . . 1.1299999999999999 109.583 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.59 144.2 35.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.829 . . . . 2.8199999999999998 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.57 116.27 1.16 Allowed Glycine 0 N--CA 1.501 2.97 0 N-CA-C 110.647 -0.981 . . . . 0.45000000000000001 110.647 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' C' ' 17' ' ' ARG . 41.1 ttt-85 -63.65 -42.98 98.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -1.135 . . . . 3.0800000000000001 109.258 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.14 -41.48 92.79 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.707 -1.22 . . . . 2.54 107.707 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -60.01 -38.43 82.61 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.772 -0.825 . . . . 4.1100000000000003 108.772 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.74 -45.36 92.44 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.327 -0.858 . . . . 0.56999999999999995 110.41 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.55 89.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.051 -1.031 . . . . 1.6599999999999999 109.145 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.68 -49.98 75.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.737 -0.838 . . . . 1.29 108.737 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.36 -39.91 92.34 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.86 -0.793 . . . . 0.40000000000000002 108.86 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.27 -47.71 80.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.519 -0.919 . . . . 3.8500000000000001 108.519 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -47.36 86.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 1.78 109.264 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.68 -46.54 89.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 1.1699999999999999 109.143 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.509 -0.744 . . . . 1.2 109.279 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.42 -41.36 93.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.912 . . . . 2.1200000000000001 109.718 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.29 -50.15 74.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.33 -0.857 . . . . 1.0700000000000001 109.955 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.15 -43.36 99.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.012 . . . . 1.1399999999999999 109.34 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -40.96 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.036 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.87 -46.75 88.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.942 -1.099 . . . . 1.3799999999999999 108.376 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.45 -40.57 91.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.444 -0.785 . . . . 2.6800000000000002 109.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.471 ' CG ' HH22 ' A' ' 19' ' ' ARG . 81.7 m-20 -59.99 -41.21 91.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 1.3400000000000001 109.246 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.6 67.47 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.417 -0.802 . . . . 1.3 109.496 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -74.64 -25.19 59.05 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.29 -0.881 . . . . 1.8 109.271 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -68.87 -8.23 42.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.141 -0.975 . . . . 1.47 109.256 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.84 7.05 10.0 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.303 -1.519 . . . . 1.6599999999999999 109.303 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' C' ' 37' ' ' ALA . 88.1 tttt -82.71 134.98 35.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.222 -1.163 . . . . 4.7800000000000002 109.311 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.86 148.94 56.66 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.412 -0.805 . . . . 6.1900000000000004 109.142 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.49 170.95 0.72 Allowed 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.224 1.283 . . . . 6.1799999999999997 109.748 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 109.531 -1.427 . . . . 6.9000000000000004 109.531 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.217 -0.66 . . . . 7.6900000000000004 109.217 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 52.55 42.48 31.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 7.4500000000000002 109.941 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp 51.38 72.93 1.07 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.065 . . . . 6.8399999999999999 109.083 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.56 -80.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.684 1.59 . . . . 5.1200000000000001 110.703 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -77.89 114.49 16.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.84 -1.163 . . . . 4.6600000000000001 109.113 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -82.45 131.03 35.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.264 -0.897 . . . . 2.46 109.312 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' D' ' 9' ' ' TYR . . . -69.7 140.09 32.69 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.726 -1.749 . . . . 1.0800000000000001 108.726 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.81 126.81 28.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.904 -1.35 . . . . 1.6699999999999999 109.577 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' D' ' 7' ' ' GLY . 98.4 m-85 -110.47 146.73 35.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.578 -0.701 . . . . 1.01 109.261 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.07 136.71 37.07 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.43 -0.794 . . . . 0.63 109.878 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 68.4 p -88.5 154.9 19.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 1.1299999999999999 109.003 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -146.54 130.17 16.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.094 -1.004 . . . . 1.1000000000000001 109.078 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -83.69 126.5 32.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 108.808 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.2 mt -120.06 120.14 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.419 -0.801 . . . . 1.1499999999999999 109.518 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.49 143.91 36.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.445 -0.784 . . . . 2.77 110.449 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 115.84 1.32 Allowed Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.661 -0.976 . . . . 0.42999999999999999 110.661 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' D' ' 17' ' ' ARG . 40.9 ttt-85 -64.08 -43.11 96.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.175 -1.191 . . . . 3.1200000000000001 109.255 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.08 -40.17 88.63 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.558 -1.339 . . . . 2.2200000000000002 107.937 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.86 -38.4 88.13 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.414 -0.958 . . . . 3.5 108.414 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.18 -45.39 91.15 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.298 -0.876 . . . . 0.5 110.03 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.8 -41.13 90.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.951 -1.093 . . . . 1.6899999999999999 109.193 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.3 ttp -60.04 -49.65 76.8 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.812 -0.81 . . . . 1.1399999999999999 108.812 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.92 -39.59 92.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.32000000000000001 108.856 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.75 -47.07 83.52 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.3 -1.0 . . . . 2.96 108.3 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.477 -0.765 . . . . 1.75 109.186 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.47 -45.89 92.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.326 -0.859 . . . . 1.0800000000000001 108.952 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -60.24 -49.59 77.03 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.518 -0.739 . . . . 1.22 109.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.22 -40.81 95.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 1.73 109.784 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -51.06 71.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 1.0700000000000001 109.589 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.03 -43.09 99.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.087 -1.008 . . . . 1.1100000000000001 109.714 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.17 -40.27 89.37 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.922 -1.112 . . . . 1.9099999999999999 109.421 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.32 -47.21 86.99 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.009 -1.108 . . . . 1.1699999999999999 108.009 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.04 -40.64 90.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.42 -0.8 . . . . 2.1499999999999999 109.109 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.461 ' CG ' HH22 ' B' ' 19' ' ' ARG . 84.3 m-20 -60.01 -40.32 88.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.209 -0.932 . . . . 1.4399999999999999 109.795 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -26.45 66.58 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.283 -0.885 . . . . 1.3 109.415 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -73.54 -27.0 61.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.135 -0.691 . . . . 1.3999999999999999 109.135 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -68.3 -8.63 41.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 1.6000000000000001 109.363 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.84 7.24 7.56 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.16 -1.576 . . . . 1.5 109.16 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' D' ' 37' ' ' ALA . 87.3 tttt -83.35 136.5 34.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -1.171 . . . . 4.5499999999999998 109.364 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.77 148.64 75.17 Favored Pre-proline 0 N--CA 1.488 1.431 0 O-C-N 121.258 -0.901 . . . . 5.6699999999999999 109.179 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.19 173.29 0.46 Allowed 'Trans proline' 0 C--N 1.321 -0.879 0 C-N-CA 120.906 1.071 . . . . 6.1200000000000001 109.853 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 109.642 -1.383 . . . . 7.2699999999999996 109.642 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 7.6600000000000001 109.414 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt 50.86 90.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 7.5099999999999998 109.462 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 49.84 67.86 4.02 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.278 -0.889 . . . . 6.8099999999999996 109.615 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -60.51 164.61 12.84 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 C-N-CA 121.468 1.446 . . . . 5.1500000000000004 109.686 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.76 133.37 36.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.25 -0.906 . . . . 4.7000000000000002 109.335 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -82.73 1.49 38.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 2.48 109.724 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.92 136.41 35.54 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.613 -1.395 . . . . 1.0800000000000001 109.613 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 139.99 57.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -1.053 . . . . 1.7 109.711 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -97.09 147.06 24.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.331 -0.855 . . . . 1.04 109.536 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.71 138.91 43.22 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.35 -0.844 . . . . 0.65000000000000002 109.419 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -89.5 154.34 20.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 1.1399999999999999 108.985 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.83 133.81 21.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.158 -0.964 . . . . 1.0900000000000001 109.423 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.415 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.8 tt0 -84.88 127.76 34.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.3700000000000001 108.876 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 120.07 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.419 -0.8 . . . . 1.1499999999999999 109.514 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.64 36.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 2.79 110.082 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.38 123.25 0.62 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.487 -1.045 . . . . 0.45000000000000001 110.487 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -65.63 -41.58 92.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.397 -1.061 . . . . 3.1600000000000001 109.241 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.52 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.355 -0.84 . . . . 2.2200000000000002 109.279 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.4 ttm180 -60.76 -40.55 92.92 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.234 -0.916 . . . . 3.54 108.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.92 -47.98 83.56 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.5 109.046 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -40.7 89.68 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.976 -1.12 . . . . 1.6599999999999999 107.976 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 30.8 ttp -63.2 -50.13 71.51 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.501 -0.749 . . . . 1.1499999999999999 109.176 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.57 -39.98 93.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.655 -0.868 . . . . 0.34000000000000002 108.655 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -56.21 -47.73 77.82 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.316 -0.994 . . . . 2.9399999999999999 108.316 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.18 -46.74 88.66 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.391 -0.818 . . . . 1.74 108.913 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.6 92.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.162 -0.961 . . . . 1.0700000000000001 109.207 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -60.06 -50.03 75.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.54 -40.03 93.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 1.72 109.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.213 -0.929 . . . . 1.0700000000000001 109.621 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.01 -44.65 96.27 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.177 -0.952 . . . . 1.0800000000000001 109.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.98 94.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.318 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.32 -49.94 75.58 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.239 -0.913 . . . . 1.1499999999999999 109.059 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.31 -41.05 92.64 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.515 -0.741 . . . . 2.1400000000000001 109.559 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.545 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 97.5 m-20 -60.05 -40.2 88.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 1.4299999999999999 109.596 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.12 97.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.322 -0.861 . . . . 1.3 109.656 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -83.04 -10.2 58.86 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.09 -1.006 . . . . 1.4199999999999999 109.495 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.07 79.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.5800000000000001 109.442 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.99 79.92 1.87 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.657 -1.377 . . . . 1.54 109.657 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.39 126.38 34.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -1.183 . . . . 4.5499999999999998 108.949 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.14 149.96 43.53 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.106 -0.996 . . . . 5.71 108.942 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.45 149.21 48.39 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.023 1.149 . . . . 6.0899999999999999 109.732 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.32 -1.512 . . . . 7.2400000000000002 109.32 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.42 -0.585 . . . . 7.6699999999999999 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt 50.7 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.118 -0.988 . . . . 7.46 109.477 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 tttm 49.92 67.86 4.01 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 6.79 109.627 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.91 164.34 14.27 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 121.47 1.447 . . . . 5.1500000000000004 109.848 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.61 133.27 36.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.32 -0.863 . . . . 4.6600000000000001 109.22 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.56 -0.12 45.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 2.4700000000000002 109.595 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.97 136.77 43.6 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.661 -1.376 . . . . 1.0600000000000001 109.661 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.96 140.02 58.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.402 -1.058 . . . . 1.6100000000000001 109.563 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . 0.425 ' CB ' HE21 ' D' ' 13' ' ' GLN . 89.9 m-85 -96.7 147.79 23.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.313 -0.867 . . . . 0.96999999999999997 109.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.54 139.45 42.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.315 -0.866 . . . . 0.59999999999999998 109.47 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -89.78 154.42 19.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.219 -0.925 . . . . 1.1000000000000001 108.915 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 tp -146.24 134.01 21.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 1.1000000000000001 109.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.438 HE21 ' CB ' ' D' ' 9' ' ' TYR . 61.6 tt0 -85.24 127.83 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.812 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.98 119.98 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.365 -0.834 . . . . 1.1699999999999999 109.47 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.65 36.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.79 109.969 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.49 123.68 0.65 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.367 -1.093 . . . . 0.47999999999999998 110.367 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -66.37 -41.43 89.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.325 -1.103 . . . . 3.2200000000000002 109.162 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.14 93.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.335 -0.853 . . . . 2.21 109.183 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.7 ttm180 -61.34 -40.22 93.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 3.5499999999999998 108.844 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.92 -48.21 82.63 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.354 -0.841 . . . . 0.52000000000000002 109.019 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.7 89.2 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.279 -1.008 . . . . 1.6799999999999999 108.279 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 32.7 ttp -63.42 -49.91 71.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.385 -0.822 . . . . 1.1499999999999999 109.03 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.55 -39.97 93.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.33000000000000002 108.815 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -56.52 -47.75 78.7 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.392 -0.966 . . . . 3.02 108.392 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -46.57 89.09 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.397 -0.815 . . . . 1.75 108.933 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.02 -45.51 93.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 1.0700000000000001 109.159 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.1 -49.98 75.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 1.21 109.567 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.88 -39.9 93.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.95 -50.07 75.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 1.0600000000000001 109.623 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.59 -45.25 94.93 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 1.0800000000000001 109.201 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.58 92.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9299999999999999 109.557 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.095 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.14 -41.32 92.45 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.414 -0.804 . . . . 2.1899999999999999 109.452 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.8 m-20 -60.12 -39.92 87.93 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.127 -0.983 . . . . 1.4299999999999999 109.45 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.73 96.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 1.3100000000000001 109.633 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -82.6 -10.23 59.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 1.3999999999999999 109.604 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.98 78.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.075 -1.016 . . . . 1.5700000000000001 109.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.58 79.47 1.89 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.72 -1.352 . . . . 1.53 109.72 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.28 126.78 35.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.116 -1.226 . . . . 4.5800000000000001 108.96 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.3 149.95 45.37 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.171 -0.955 . . . . 5.6799999999999997 108.844 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 149.91 49.66 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 120.894 1.062 . . . . 6.0499999999999998 109.819 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 118.009 -1.439 . . . . 7.2000000000000002 109.654 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.469 -0.567 . . . . 9.2200000000000006 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 50.97 90.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.923 . . . . 8.5099999999999998 109.449 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 48.1 tttm 49.9 68.05 3.83 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 7.4199999999999999 109.662 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -60.92 164.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 121.565 1.51 . . . . 5.0499999999999998 109.887 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -79.28 133.15 36.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.367 -0.833 . . . . 5.1399999999999997 109.442 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.64 0.94 40.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.375 -0.828 . . . . 2.8500000000000001 109.631 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.97 136.38 37.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.676 -1.37 . . . . 1.27 109.676 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 139.95 58.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -1.085 . . . . 2.1099999999999999 109.721 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . 0.415 ' CB ' HE21 ' A' ' 13' ' ' GLN . 89.7 m-85 -96.84 147.46 23.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.231 -0.918 . . . . 1.01 109.582 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.14 139.43 42.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.368 -0.833 . . . . 0.57999999999999996 109.466 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 153.93 20.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.195 -0.941 . . . . 1.1599999999999999 108.977 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.73 133.8 21.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.14 -0.975 . . . . 1.1699999999999999 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.85 127.9 34.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.391 -0.818 . . . . 1.8100000000000001 108.793 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 120.13 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 121.437 -0.79 . . . . 1.1299999999999999 109.399 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.37 150.02 36.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 2.8199999999999998 109.932 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 123.26 0.55 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.578 -1.009 . . . . 0.45000000000000001 110.578 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.71 -41.8 91.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -1.065 . . . . 3.0800000000000001 109.38 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -42.49 94.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 2.54 109.119 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.545 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 43.7 ttm180 -61.08 -40.38 93.46 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.238 -0.914 . . . . 4.1100000000000003 108.724 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.11 -48.0 83.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.365 -0.834 . . . . 0.56999999999999995 108.837 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.95 -40.62 89.61 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.239 -1.023 . . . . 1.6599999999999999 108.239 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.2 ttp -63.3 -50.08 71.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 1.29 109.079 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.44 -39.95 92.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.92 -0.77 . . . . 0.40000000000000002 108.92 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.57 -47.66 79.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.425 -0.954 . . . . 3.8500000000000001 108.425 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.11 -46.95 87.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.376 -0.828 . . . . 1.78 108.793 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.71 -45.6 93.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 1.1699999999999999 109.166 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.03 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 1.2 109.545 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.69 -39.99 93.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.403 -0.81 . . . . 2.1200000000000001 109.974 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.373 -0.829 . . . . 1.0700000000000001 109.606 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.85 -44.89 95.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.025 -1.047 . . . . 1.1399999999999999 109.225 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.19 -41.2 92.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.465 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.24 -49.89 75.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 1.3799999999999999 109.173 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.5 -41.13 93.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 2.6800000000000002 109.494 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.1 m-20 -60.05 -39.89 87.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.389 -0.819 . . . . 1.3400000000000001 109.522 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.49 97.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.265 -0.897 . . . . 1.3 109.648 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -82.76 -9.98 59.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.006 -1.059 . . . . 1.8 109.496 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.97 78.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 1.47 109.377 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.83 80.33 1.82 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.707 -1.357 . . . . 1.6599999999999999 109.707 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.45 126.34 34.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.133 -1.216 . . . . 4.7800000000000002 108.899 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.42 149.72 47.86 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.226 -0.921 . . . . 6.1900000000000004 108.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.94 147.6 62.04 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.05 1.167 . . . . 6.1799999999999997 109.89 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.517 -1.433 . . . . 6.9000000000000004 109.517 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.515 -0.55 . . . . 7.6900000000000004 109.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 51.2 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.052 -1.03 . . . . 7.4500000000000002 109.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 49.3 tttm 49.86 67.82 4.05 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.978 . . . . 6.8399999999999999 109.723 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -60.88 164.39 14.09 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 121.432 1.421 . . . . 5.1200000000000001 109.923 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.57 133.37 36.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.911 . . . . 4.6600000000000001 109.253 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.66 1.14 39.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.309 -0.869 . . . . 2.46 109.656 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.96 136.56 38.03 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.679 -1.368 . . . . 1.0800000000000001 109.679 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.43 140.05 58.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.41 -1.053 . . . . 1.6699999999999999 109.607 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.438 ' CB ' HE21 ' B' ' 13' ' ' GLN . 90.5 m-85 -96.98 147.55 23.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.212 -0.93 . . . . 1.01 109.487 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.12 139.61 43.08 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.275 -0.89 . . . . 0.63 109.477 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 63.4 p -89.61 154.81 19.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.188 -0.945 . . . . 1.1299999999999999 108.914 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -146.54 132.86 19.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.068 -1.02 . . . . 1.1000000000000001 109.516 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . 0.425 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.7 tt0 -84.25 127.76 34.15 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.724 -0.843 . . . . 1.3700000000000001 108.724 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.11 119.94 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.363 -0.836 . . . . 1.1499999999999999 109.485 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.44 149.58 36.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.354 -0.841 . . . . 2.77 110.069 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.45 124.01 0.66 Allowed Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.301 -1.12 . . . . 0.42999999999999999 110.301 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.66 -40.93 88.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.261 -1.141 . . . . 3.1200000000000001 109.121 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.79 95.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 2.2200000000000002 109.14 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.4 ttm180 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.281 -0.887 . . . . 3.5 108.892 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.07 -47.91 83.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.375 -0.828 . . . . 0.5 109.008 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.94 -40.4 88.84 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.199 -1.037 . . . . 1.6899999999999999 108.199 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 32.1 ttp -63.64 -50.0 71.04 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.47 -0.769 . . . . 1.1399999999999999 109.22 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.39 -39.9 92.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.821 -0.807 . . . . 0.32000000000000001 108.821 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -56.41 -47.58 78.73 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.307 -0.997 . . . . 2.96 108.307 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.22 -46.43 89.78 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.491 -0.756 . . . . 1.75 108.963 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.23 -45.87 91.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.254 -0.904 . . . . 1.0800000000000001 109.107 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.98 -49.91 75.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.386 -0.821 . . . . 1.22 109.536 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 1.73 109.909 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.05 75.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.129 -0.982 . . . . 1.0700000000000001 109.57 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.58 -45.4 94.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.138 -0.976 . . . . 1.1100000000000001 109.267 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.36 92.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.372 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.08 -49.84 76.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.272 -0.893 . . . . 1.1699999999999999 109.024 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.25 -41.16 92.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.43 -0.794 . . . . 2.1499999999999999 109.4 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.01 -40.09 88.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.353 -0.842 . . . . 1.4399999999999999 109.595 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.267 -0.895 . . . . 1.3 109.617 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -82.83 -10.05 59.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.123 -0.985 . . . . 1.3999999999999999 109.466 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.93 78.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 1.6000000000000001 109.364 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.63 79.58 1.88 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.566 -1.413 . . . . 1.5 109.566 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -87.12 128.48 35.12 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.261 -1.14 . . . . 4.5499999999999998 108.829 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -59.88 150.02 70.53 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.071 -1.018 . . . . 5.6699999999999999 108.709 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.37 148.48 51.36 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 120.991 1.127 . . . . 6.1200000000000001 109.614 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.896 -1.502 . . . . 7.2699999999999996 109.389 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 3' ' ' LYS . 47.2 mtmt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.137 -0.69 . . . . 7.6600000000000001 109.137 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 3' ' ' LYS . 62.3 tttm 63.41 -50.37 0.23 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.96 -0.462 . . . . 7.5099999999999998 110.215 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 1' ' ' LYS . 23.5 mtmt 59.85 149.13 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 6.8099999999999996 109.286 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.57 -83.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.734 0 N-CA-C 109.45 -1.019 . . . . 5.1500000000000004 109.45 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.8 121.95 29.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.194 -0.942 . . . . 4.7000000000000002 109.348 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -81.75 127.04 32.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 2.48 109.491 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' O ' ' CE1' ' A' ' 9' ' ' TYR . . . -69.55 139.97 32.72 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 108.983 -1.647 . . . . 1.0800000000000001 108.983 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.04 133.93 56.56 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.105 -1.233 . . . . 1.7 109.138 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 95.7 m-85 -109.27 142.65 39.83 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.598 -0.689 . . . . 1.04 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -133.99 140.46 46.73 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.271 -0.893 . . . . 0.65000000000000002 109.698 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.28 155.56 19.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.243 -0.911 . . . . 1.1399999999999999 109.195 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.92 130.04 16.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.056 -1.027 . . . . 1.0900000000000001 109.352 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 128.32 34.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 1.3700000000000001 108.978 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.0 119.97 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.307 -0.871 . . . . 1.1499999999999999 109.648 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -76.98 145.0 38.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.327 -0.858 . . . . 2.79 109.912 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.76 112.72 1.86 Allowed Glycine 0 N--CA 1.499 2.833 0 N-CA-C 110.409 -1.076 . . . . 0.45000000000000001 110.409 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -60.07 -49.37 77.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -1.085 . . . . 3.1600000000000001 109.284 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.2200000000000002 108.698 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.523 HH12 ' CD ' ' D' ' 25' ' ' GLU . 10.2 tpp180 -60.15 -38.69 83.89 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.756 . . . . 3.54 109.467 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.04 -42.84 86.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.858 . . . . 0.5 109.513 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.59 86.22 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.165 -0.96 . . . . 1.6599999999999999 108.594 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.6 ttp -59.95 -50.85 72.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.464 -0.773 . . . . 1.1499999999999999 109.69 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -62.99 -40.09 96.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 0.34000000000000002 109.29 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -52.97 -48.78 67.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 2.9399999999999999 109.273 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' CD ' HH12 ' D' ' 19' ' ' ARG . 84.4 tt0 -60.01 -47.26 86.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.11 -0.994 . . . . 1.74 109.359 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -46.2 89.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.139 -0.975 . . . . 1.0700000000000001 108.916 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.85 -50.16 74.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 1.22 109.618 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.397 -0.815 . . . . 1.72 109.774 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.0 -47.72 82.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.127 -0.983 . . . . 1.0700000000000001 109.317 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.26 -41.86 97.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.068 -1.02 . . . . 1.0800000000000001 109.288 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.38 -41.01 92.87 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.179 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.18 -49.98 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 1.1499999999999999 109.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.27 -40.2 95.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 2.1400000000000001 109.443 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.12 -39.93 87.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.406 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.15 95.68 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.372 -0.83 . . . . 1.3 109.282 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -72.42 -40.05 67.41 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.199 -0.938 . . . . 1.4199999999999999 109.341 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.53 -10.06 59.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.393 -0.817 . . . . 1.5800000000000001 109.617 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.85 9.02 6.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.208 -1.157 . . . . 1.54 110.208 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -86.7 111.9 21.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.967 -1.313 . . . . 4.5499999999999998 109.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.563 ' C ' ' H ' ' A' ' 42' ' ' GLY . 51.7 mm-40 -60.08 150.04 72.05 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.384 -0.823 . . . . 5.71 109.122 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.0 3.92 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 120.89 1.06 . . . . 6.0899999999999999 109.931 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.563 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.588 -1.405 . . . . 7.2400000000000002 109.588 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' B' ' 3' ' ' LYS . 47.8 mtmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.318 -0.623 . . . . 7.6699999999999999 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 3' ' ' LYS . 63.6 tttm 63.15 -50.07 0.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 122.065 -0.397 . . . . 7.46 110.095 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' B' ' 1' ' ' LYS . 23.5 mtmt 60.11 149.83 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.295 -0.878 . . . . 6.79 109.236 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.96 -83.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.722 0 N-CA-C 109.49 -1.004 . . . . 5.1500000000000004 109.49 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.03 121.19 28.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.109 -0.994 . . . . 4.6600000000000001 109.415 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.65 129.26 34.41 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.228 -0.92 . . . . 2.4700000000000002 109.419 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -71.53 141.26 31.91 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.734 -1.747 . . . . 1.0600000000000001 108.734 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -61.15 134.68 57.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.994 -1.298 . . . . 1.6100000000000001 109.309 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 96.0 m-85 -109.69 142.92 40.18 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 109.206 -0.664 . . . . 0.96999999999999997 109.206 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -134.17 140.84 46.8 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.303 -0.873 . . . . 0.59999999999999998 109.686 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -88.74 154.77 20.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.858 . . . . 1.1000000000000001 109.268 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -146.27 129.98 17.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.062 -1.024 . . . . 1.1000000000000001 109.346 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -85.85 128.21 34.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 1.3600000000000001 109.014 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.4 mt -120.08 120.06 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.389 -0.82 . . . . 1.1699999999999999 109.531 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -76.92 145.08 38.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.516 -0.74 . . . . 2.79 109.923 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.68 112.66 1.83 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.425 -1.07 . . . . 0.47999999999999998 110.425 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.98 -49.49 77.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.376 -1.073 . . . . 3.2200000000000002 109.436 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.643 -0.873 . . . . 2.21 108.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.522 HH12 ' CD ' ' C' ' 25' ' ' GLU . 9.9 tpp180 -60.02 -39.64 86.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.659 -0.651 . . . . 3.5499999999999998 109.337 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.32 -42.91 82.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.52000000000000002 109.466 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.92 -39.31 85.02 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.659 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 39.5 ttp -59.94 -50.8 72.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 1.1499999999999999 109.762 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -63.05 -40.05 96.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.33000000000000002 109.334 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -53.19 -48.66 67.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 3.02 109.364 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.518 ' OE2' ' NH1' ' C' ' 19' ' ' ARG . 83.7 tt0 -60.08 -47.52 85.53 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.13 -0.981 . . . . 1.75 109.194 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -46.31 89.82 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.145 -0.972 . . . . 1.0700000000000001 108.978 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -60.05 -49.83 76.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.433 -0.792 . . . . 1.21 109.551 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -39.76 87.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.351 -0.843 . . . . 1.6899999999999999 109.914 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.14 85.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 1.0600000000000001 109.352 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.6 mt -61.61 -41.75 97.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 1.0800000000000001 109.238 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.25 -41.3 92.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.436 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.27 -49.88 75.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 1.1399999999999999 109.485 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.33 -40.12 95.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 2.1899999999999999 109.353 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.99 87.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.261 -0.9 . . . . 1.4299999999999999 109.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.01 94.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 1.3100000000000001 109.349 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.97 -40.02 65.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.967 . . . . 1.3999999999999999 109.473 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.91 59.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.389 -0.819 . . . . 1.5700000000000001 109.58 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.07 8.96 7.37 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.139 -1.185 . . . . 1.53 110.139 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -86.54 111.98 21.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.95 -1.323 . . . . 4.5800000000000001 109.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 42' ' ' GLY . 55.3 mm-40 -60.12 150.06 72.3 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.43 -0.794 . . . . 5.6799999999999997 108.978 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -59.81 3.43 0.22 Allowed 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 120.854 1.036 . . . . 6.0499999999999998 110.016 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' B' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 118.023 -1.432 . . . . 7.2000000000000002 109.635 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' C' ' 3' ' ' LYS . 47.4 mtmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.406 -0.59 . . . . 9.2200000000000006 109.406 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' C' ' 3' ' ' LYS . 63.0 tttm 63.01 -49.9 0.2 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 122.188 -0.32 . . . . 8.5099999999999998 110.195 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' C' ' 1' ' ' LYS . 23.8 mtmt 59.81 149.69 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.227 -0.92 . . . . 7.4199999999999999 109.297 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.93 -84.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.795 0 N-CA-C 109.349 -1.058 . . . . 5.0499999999999998 109.349 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.82 122.03 28.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.131 -0.98 . . . . 5.1399999999999997 109.267 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -81.76 127.9 33.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 2.8500000000000001 109.191 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . 0.497 ' O ' ' CE1' ' C' ' 9' ' ' TYR . . . -70.55 140.34 31.8 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.89 -1.684 . . . . 1.27 108.89 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.0 134.22 56.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.276 . . . . 2.1099999999999999 109.255 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' C' ' 7' ' ' GLY . 96.0 m-85 -109.43 142.32 40.58 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.563 -0.71 . . . . 1.01 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -133.58 140.69 47.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.304 -0.873 . . . . 0.57999999999999996 109.584 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -88.38 155.7 19.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.406 -0.809 . . . . 1.1599999999999999 109.163 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.77 130.69 17.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.073 -1.017 . . . . 1.1699999999999999 109.446 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -86.49 127.72 34.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 1.8100000000000001 109.132 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 120.0 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.323 -0.861 . . . . 1.1299999999999999 109.539 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -77.05 144.73 38.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.484 -0.76 . . . . 2.8199999999999998 109.792 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.61 112.31 2.01 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.351 -1.1 . . . . 0.45000000000000001 110.351 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -59.98 -49.64 76.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -1.081 . . . . 3.0800000000000001 109.283 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -59.97 -39.92 87.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.235 -0.916 . . . . 2.54 108.767 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.518 ' NH1' ' OE2' ' B' ' 25' ' ' GLU . 10.2 tpp180 -60.08 -39.16 85.1 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.605 -0.684 . . . . 4.1100000000000003 109.433 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.39 -42.64 82.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.228 -0.92 . . . . 0.56999999999999995 109.672 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.761 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 39.4 ttp -59.98 -50.69 72.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.63 -0.669 . . . . 1.29 109.838 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -63.47 -39.94 95.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.898 . . . . 0.40000000000000002 109.374 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -53.23 -48.72 67.96 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 3.8500000000000001 109.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . 0.522 ' CD ' HH12 ' B' ' 19' ' ' ARG . 83.4 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.092 -1.005 . . . . 1.78 109.322 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -45.97 90.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.1 -1.0 . . . . 1.1699999999999999 108.992 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.06 -49.94 75.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.2 109.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.408 ' CB ' ' HZ1' ' D' ' 33' ' ' LYS . 98.8 mt-10 -60.06 -39.36 85.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.955 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.93 86.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.044 -1.035 . . . . 1.0700000000000001 109.408 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.87 -41.74 98.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 1.1399999999999999 109.089 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.16 -41.77 93.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.386 -0.821 . . . . 2.0899999999999999 109.484 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 61.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.284 -0.885 . . . . 1.3799999999999999 109.434 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.9 -40.35 96.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.325 -0.859 . . . . 2.6800000000000002 109.563 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.05 -39.93 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.361 -0.837 . . . . 1.3400000000000001 109.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.94 94.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.323 -0.86 . . . . 1.3 109.368 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -72.83 -40.06 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 1.8 109.326 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.41 -9.81 58.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.851 . . . . 1.47 109.666 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.35 9.52 7.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.128 -1.189 . . . . 1.6599999999999999 110.128 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.13 111.94 21.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.057 -1.26 . . . . 4.7800000000000002 109.363 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.556 ' C ' ' H ' ' C' ' 42' ' ' GLY . 50.7 mm-40 -60.01 150.38 70.1 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.365 -0.834 . . . . 6.1900000000000004 108.982 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.15 3.86 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 120.847 1.031 . . . . 6.1799999999999997 110.008 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' C' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 118.047 -1.418 . . . . 6.9000000000000004 109.622 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' D' ' 3' ' ' LYS . 47.7 mtmt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.298 -0.63 . . . . 7.6900000000000004 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' D' ' 3' ' ' LYS . 63.0 tttm 62.65 -49.67 0.18 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 122.065 -0.397 . . . . 7.4500000000000002 110.283 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 1' ' ' LYS . 24.0 mtmt 59.78 149.54 0.08 OUTLIER Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.302 -0.874 . . . . 6.8399999999999999 109.374 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -84.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 N-CA-C 109.185 -1.121 . . . . 5.1200000000000001 109.185 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -84.55 122.12 28.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 4.6600000000000001 109.423 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -81.93 128.03 33.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 2.46 109.457 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . 0.5 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -70.32 140.06 31.7 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.989 -1.644 . . . . 1.0800000000000001 108.989 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 134.37 56.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.986 -1.302 . . . . 1.6699999999999999 109.281 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 96.0 m-85 -109.36 142.88 39.67 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.524 -0.735 . . . . 1.01 109.161 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.22 140.23 46.34 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.332 -0.855 . . . . 0.63 109.584 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -88.1 155.53 19.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.335 -0.853 . . . . 1.1299999999999999 109.156 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -147.01 130.01 16.33 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.003 -1.061 . . . . 1.1000000000000001 109.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -86.04 128.24 34.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.3700000000000001 109.081 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.98 120.0 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.435 -0.79 . . . . 1.1499999999999999 109.622 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -77.05 145.2 38.08 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.817 . . . . 2.77 109.958 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 112.66 1.89 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.582 -1.007 . . . . 0.42999999999999999 110.582 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -60.09 -49.42 77.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.249 -1.148 . . . . 3.1200000000000001 109.387 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.01 -39.86 87.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 2.2200000000000002 108.705 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.415 HH12 ' CD ' ' A' ' 25' ' ' GLU . 10.4 tpp180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.466 -0.771 . . . . 3.5 109.47 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.81 -42.91 80.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.933 . . . . 0.5 109.61 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.55 85.94 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 108.749 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 39.7 ttp -60.0 -50.51 73.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 1.1399999999999999 109.819 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.35 -40.0 96.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.32000000000000001 109.311 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -53.15 -48.67 67.76 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 2.96 109.297 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . 0.523 ' CD ' HH12 ' A' ' 19' ' ' ARG . 83.6 tt0 -60.06 -47.3 86.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.096 -1.002 . . . . 1.75 109.287 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.37 -46.2 89.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.178 -0.951 . . . . 1.0800000000000001 109.104 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.445 -0.785 . . . . 1.22 109.69 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.461 -0.775 . . . . 1.73 109.749 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.03 -47.21 83.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.423 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.58 -42.24 98.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 1.1100000000000001 109.131 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -41.43 92.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.322 -0.861 . . . . 1.9099999999999999 109.213 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.01 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.376 -0.827 . . . . 1.1699999999999999 109.476 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . 0.408 ' HZ1' ' CB ' ' C' ' 28' ' ' GLU . 33.9 ttmt -64.42 -40.01 94.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 2.1499999999999999 109.453 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.417 -0.802 . . . . 1.4399999999999999 109.351 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.11 95.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.342 -0.849 . . . . 1.3 109.397 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.73 -40.02 66.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 1.3999999999999999 109.355 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.78 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.403 -0.811 . . . . 1.6000000000000001 109.627 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.03 9.23 6.94 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 110.138 -1.185 . . . . 1.5 110.138 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -86.95 112.07 21.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.059 -1.26 . . . . 4.5499999999999998 109.472 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . 0.558 ' C ' ' H ' ' D' ' 42' ' ' GLY . 53.3 mm-40 -59.96 149.6 73.03 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 5.6699999999999999 109.216 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.38 3.73 0.17 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 120.893 1.062 . . . . 6.1200000000000001 110.005 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . 0.558 ' H ' ' C ' ' D' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.565 -1.414 . . . . 7.2699999999999996 109.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.297 0.57 . . . . 7.6600000000000001 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 3' ' ' LYS . 92.7 mttt 47.44 -168.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 7.5099999999999998 109.669 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 2' ' ' LYS . 53.9 mttt 60.14 149.66 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.528 -0.733 . . . . 6.8099999999999996 109.118 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 3' ' ' LYS . 6.3 Cg_exo -54.36 -163.8 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.71 0 C-N-CA 120.924 1.083 . . . . 5.1500000000000004 110.136 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -77.43 134.56 38.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.051 -1.031 . . . . 4.7000000000000002 109.37 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -79.01 163.9 24.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 2.48 109.924 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 151.85 52.53 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.357 -1.497 . . . . 1.0800000000000001 109.357 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.96 139.5 57.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.378 -1.072 . . . . 1.7 109.639 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.403 ' CB ' HE21 ' C' ' 13' ' ' GLN . 96.5 m-85 -102.56 148.34 25.66 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.456 -0.778 . . . . 1.04 109.124 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.63 134.26 44.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.376 -0.827 . . . . 0.65000000000000002 109.698 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -87.97 156.89 19.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 1.1399999999999999 108.967 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -146.43 129.22 16.24 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 1.0900000000000001 108.962 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -85.04 127.09 34.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.244 -0.91 . . . . 1.3700000000000001 108.802 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.06 120.08 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.516 -0.74 . . . . 1.1499999999999999 110.05 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.5 148.97 38.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.508 -0.745 . . . . 2.79 109.949 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 125.29 0.73 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.379 -1.089 . . . . 0.45000000000000001 110.379 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.06 -40.71 78.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -1.129 . . . . 3.1600000000000001 109.409 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -44.03 95.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 2.2200000000000002 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.34 -39.98 89.06 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 3.54 109.065 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -47.4 84.71 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.428 -0.795 . . . . 0.5 109.198 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.82 -39.96 86.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.091 -1.005 . . . . 1.6599999999999999 108.536 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 54.9 ttp -62.62 -50.81 69.78 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.402 -0.811 . . . . 1.1499999999999999 109.704 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.67 -40.96 98.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.202 -0.936 . . . . 0.34000000000000002 109.038 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.74 -41.07 90.12 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.626 -0.879 . . . . 2.9399999999999999 108.626 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.9 75.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.426 -0.796 . . . . 1.74 109.011 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.52 -42.51 99.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 108.893 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.04 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 1.22 109.449 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.93 -39.96 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.286 -0.884 . . . . 1.72 109.774 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.69 -44.77 93.53 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.241 -0.912 . . . . 1.0700000000000001 109.007 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.08 -40.82 98.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.145 -0.972 . . . . 1.0800000000000001 109.033 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -47.44 85.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 1.9099999999999999 108.982 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.05 -49.7 76.64 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.476 -0.935 . . . . 1.1499999999999999 108.476 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -60.09 -41.79 93.25 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.096 -0.705 . . . . 2.1400000000000001 109.096 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.19 -40.04 88.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.746 . . . . 1.4299999999999999 110.314 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.96 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.127 -0.983 . . . . 1.3 109.94 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -71.45 -39.96 70.64 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.168 -0.957 . . . . 1.4199999999999999 109.102 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -7.0 48.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.379 -0.826 . . . . 1.5800000000000001 109.485 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.76 -3.9 87.66 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.864 -1.294 . . . . 1.54 109.864 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -85.77 128.1 34.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.151 -1.205 . . . . 4.5499999999999998 109.269 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -50.52 -54.19 37.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 5.71 110.378 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 40' ' ' GLU . 2.3 Cg_endo -59.99 144.08 99.51 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 N-CA-C 109.772 -0.895 . . . . 6.0899999999999999 109.772 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 118.023 -1.432 . . . . 7.2400000000000002 109.684 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.31 -0.626 . . . . 7.6699999999999999 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 3' ' ' LYS . 92.7 mttt 47.43 -168.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.174 -0.954 . . . . 7.46 109.825 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 2' ' ' LYS . 52.9 mttt 59.81 149.93 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 6.79 108.997 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' B' ' 3' ' ' LYS . 5.7 Cg_exo -54.59 -163.18 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 120.949 1.099 . . . . 5.1500000000000004 110.128 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.53 134.22 38.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.127 -0.983 . . . . 4.6600000000000001 109.319 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.23 161.61 26.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 2.4700000000000002 109.839 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.33 151.67 50.08 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.621 -1.391 . . . . 1.0600000000000001 109.621 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.09 139.8 57.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -1.114 . . . . 1.6100000000000001 109.564 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.23 148.59 25.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.96999999999999997 109.079 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.8 134.56 44.84 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.325 -0.86 . . . . 0.59999999999999998 109.689 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.1 157.6 18.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 1.1000000000000001 108.872 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -146.65 130.04 16.74 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.994 . . . . 1.1000000000000001 108.821 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.402 HE21 ' CB ' ' D' ' 9' ' ' TYR . 59.2 tt0 -85.95 126.88 34.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 108.879 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.01 120.04 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.373 -0.829 . . . . 1.1699999999999999 110.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.53 148.73 38.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.527 -0.733 . . . . 2.79 109.987 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 125.3 0.76 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.175 -1.17 . . . . 0.47999999999999998 110.175 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.29 -40.65 77.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -1.105 . . . . 3.2200000000000002 109.409 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.23 -44.24 95.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 2.21 109.245 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -60.17 -39.98 88.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.41 -0.806 . . . . 3.5499999999999998 109.075 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.52000000000000002 109.243 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.97 -40.17 88.15 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.982 -1.074 . . . . 1.6799999999999999 108.628 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 57.3 ttp -62.58 -50.07 72.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.354 -0.842 . . . . 1.1499999999999999 109.861 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.4 -40.99 98.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.33000000000000002 108.908 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -59.85 -40.98 90.42 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.606 -0.886 . . . . 3.02 108.606 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -49.58 77.1 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.406 -0.808 . . . . 1.75 108.964 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.86 -42.49 99.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.982 . . . . 1.0700000000000001 108.849 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.96 -50.05 75.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.35 -0.844 . . . . 1.21 109.57 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.71 -40.01 93.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.679 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.79 94.09 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.261 -0.899 . . . . 1.0600000000000001 109.121 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.1 -40.71 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 1.0800000000000001 108.937 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -47.13 87.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 1.9299999999999999 108.873 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.04 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.435 -0.95 . . . . 1.1399999999999999 108.435 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -60.08 -41.5 92.58 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.07 -0.715 . . . . 2.1899999999999999 109.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.12 -39.9 87.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 110.261 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.99 94.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 1.3100000000000001 109.863 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.59 -40.05 73.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.107 -0.996 . . . . 1.3999999999999999 109.209 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.68 -7.6 51.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.37 -0.831 . . . . 1.5700000000000001 109.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.11 -4.64 86.51 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.917 -1.273 . . . . 1.53 109.917 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -85.3 127.92 34.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.155 -1.203 . . . . 4.5800000000000001 109.438 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.424 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 0.8 OUTLIER -50.76 -53.97 41.34 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 5.6799999999999997 110.495 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' B' ' 40' ' ' GLU . 2.6 Cg_endo -59.73 145.35 98.4 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 N-CA-C 109.787 -0.89 . . . . 6.0499999999999998 109.787 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.965 -1.464 . . . . 7.2000000000000002 109.525 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.498 -0.556 . . . . 9.2200000000000006 109.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 3' ' ' LYS . 92.7 mttt 47.83 -169.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 8.5099999999999998 109.634 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 2' ' ' LYS . 53.7 mttt 60.44 149.75 0.09 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.953 -0.758 . . . . 7.4199999999999999 108.953 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' C' ' 3' ' ' LYS . 6.1 Cg_exo -54.41 -164.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 120.977 1.118 . . . . 5.0499999999999998 110.194 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -77.15 134.25 38.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.166 -0.959 . . . . 5.1399999999999997 109.358 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -78.97 162.98 25.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.444 -0.785 . . . . 2.8500000000000001 109.841 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.22 151.9 52.09 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.443 -1.463 . . . . 1.27 109.443 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.01 138.8 57.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -1.085 . . . . 2.1099999999999999 109.875 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.01 148.24 25.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.495 -0.753 . . . . 1.01 109.324 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.43 134.23 44.84 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.454 -0.779 . . . . 0.57999999999999996 109.671 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.02 157.34 18.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.792 . . . . 1.1599999999999999 108.942 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -146.59 129.42 16.25 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.017 . . . . 1.1699999999999999 109.002 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . 0.403 HE21 ' CB ' ' A' ' 9' ' ' TYR . 59.3 tt0 -85.15 126.82 33.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -0.823 . . . . 1.8100000000000001 108.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.08 120.4 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 1.1299999999999999 110.112 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.55 149.6 38.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.487 -0.758 . . . . 2.8199999999999998 109.962 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.61 124.14 0.57 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.495 -1.042 . . . . 0.45000000000000001 110.495 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.76 -41.27 83.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -1.077 . . . . 3.0800000000000001 109.504 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.2 -43.7 95.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.091 -1.006 . . . . 2.54 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.5 -39.89 89.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.294 -0.879 . . . . 4.1100000000000003 109.081 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.05 -47.07 86.56 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.368 -0.832 . . . . 0.56999999999999995 109.28 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.91 -39.95 87.15 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.043 -1.035 . . . . 1.6599999999999999 108.508 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 57.2 ttp -62.84 -50.23 71.78 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.393 -0.817 . . . . 1.29 109.797 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.05 -41.13 99.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.40000000000000002 108.924 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.67 -40.93 89.39 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.681 -0.859 . . . . 3.8500000000000001 108.681 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.85 76.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.404 -0.81 . . . . 1.78 108.936 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.67 -42.28 99.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.152 -0.967 . . . . 1.1699999999999999 108.966 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.08 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.421 -0.799 . . . . 1.2 109.652 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.01 -39.94 93.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.741 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.66 94.11 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 109.034 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.39 -40.61 97.69 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.147 -0.971 . . . . 1.1399999999999999 109.004 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.03 -47.13 87.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 2.0899999999999999 108.982 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 64.8 tp -60.14 -49.86 75.97 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.344 -0.984 . . . . 1.3799999999999999 108.344 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -60.0 -41.35 91.89 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.014 -0.735 . . . . 2.6800000000000002 109.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.32 -40.08 89.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.476 -0.765 . . . . 1.3400000000000001 110.216 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.95 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.143 -0.973 . . . . 1.3 109.923 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . 0.405 ' NE2' ' CD2' ' D' ' 32' ' ' LEU . 27.5 mt-30 -70.94 -40.04 72.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.024 -1.047 . . . . 1.8 109.316 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.53 -7.35 49.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.332 -0.855 . . . . 1.47 109.542 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.85 -3.45 87.66 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.83 -1.308 . . . . 1.6599999999999999 109.83 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -86.02 127.48 34.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.159 -1.201 . . . . 4.7800000000000002 109.229 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.42 ' N ' ' HD2' ' C' ' 41' ' ' PRO . 0.8 OUTLIER -50.28 -53.99 38.84 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 6.1900000000000004 110.434 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' C' ' 40' ' ' GLU . 2.1 Cg_endo -60.32 143.31 99.49 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 N-CA-C 109.742 -0.907 . . . . 6.1799999999999997 109.742 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 CA-C-O 118.058 -1.412 . . . . 6.9000000000000004 109.574 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.443 -0.576 . . . . 7.6900000000000004 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' D' ' 3' ' ' LYS . 93.2 mttt 47.5 -168.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 7.4500000000000002 109.645 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' D' ' 2' ' ' LYS . 54.3 mttt 59.81 149.7 0.08 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.542 -0.724 . . . . 6.8399999999999999 109.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' D' ' 3' ' ' LYS . 6.3 Cg_exo -54.26 -163.08 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.706 0 C-N-CA 121.013 1.142 . . . . 5.1200000000000001 110.201 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 92.2 mt -77.99 134.42 37.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.13 -0.981 . . . . 4.6600000000000001 109.265 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.1 163.31 25.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.369 -0.832 . . . . 2.46 109.866 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.23 151.76 52.1 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.469 -1.452 . . . . 1.0800000000000001 109.469 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.02 140.09 57.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -1.083 . . . . 1.6699999999999999 109.507 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.402 ' CB ' HE21 ' B' ' 13' ' ' GLN . 96.4 m-85 -103.42 148.53 25.79 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.388 -0.82 . . . . 1.01 109.174 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -132.63 134.75 45.27 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.375 -0.828 . . . . 0.63 109.758 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.26 157.1 18.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.427 -0.796 . . . . 1.1299999999999999 108.916 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -146.34 129.6 16.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.103 -0.998 . . . . 1.1000000000000001 108.926 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -85.41 127.18 34.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.9 . . . . 1.3700000000000001 108.806 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.01 120.34 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.421 -0.799 . . . . 1.1499999999999999 110.214 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.76 148.85 38.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.427 -0.796 . . . . 2.77 110.054 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.12 125.4 0.69 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.373 -1.091 . . . . 0.42999999999999999 110.373 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' D' ' 21' ' ' GLU . 4.7 tmt_? -68.72 -40.72 79.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -1.047 . . . . 3.1200000000000001 109.475 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.43 -43.7 96.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.123 -0.986 . . . . 2.2200000000000002 109.469 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.44 -39.94 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 3.5 109.033 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.82 -47.22 85.56 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.351 -0.843 . . . . 0.5 109.27 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' D' ' 17' ' ' ARG . 47.4 mt-10 -59.94 -40.12 87.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.127 -0.983 . . . . 1.6899999999999999 108.519 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 56.4 ttp -62.54 -50.33 71.76 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.392 -0.817 . . . . 1.1399999999999999 109.675 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.25 -40.84 98.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.32000000000000001 108.95 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.88 -40.97 90.52 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.614 -0.884 . . . . 2.96 108.614 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -49.82 76.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.438 -0.789 . . . . 1.75 109.0 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -42.7 99.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 1.0800000000000001 108.907 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.05 -49.74 76.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 1.22 109.746 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.93 93.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.73 109.746 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.43 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.213 -0.93 . . . . 1.0700000000000001 109.053 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -40.54 97.27 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 1.1100000000000001 108.938 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 1.9099999999999999 109.037 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.405 ' CD2' ' NE2' ' C' ' 36' ' ' GLN . 64.4 tp -59.93 -49.93 75.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.426 -0.953 . . . . 1.1699999999999999 108.426 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -60.06 -40.91 91.13 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.214 -0.662 . . . . 2.1499999999999999 109.214 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.66 -40.0 90.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 110.236 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.63 95.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.336 -0.852 . . . . 1.3 109.858 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.072 -1.018 . . . . 1.3999999999999999 109.16 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.99 48.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 1.6000000000000001 109.572 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.92 -3.97 88.21 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.951 -1.26 . . . . 1.5 109.951 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.77 127.79 34.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.119 -1.224 . . . . 4.5499999999999998 109.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' D' ' 41' ' ' PRO . 0.8 OUTLIER -50.91 -52.79 54.32 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.193 -0.942 . . . . 5.6699999999999999 110.753 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' D' ' 40' ' ' GLU . 2.1 Cg_endo -61.13 144.34 99.12 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 120.683 0.922 . . . . 6.1200000000000001 109.86 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 118.021 -1.433 . . . . 7.2699999999999996 109.718 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.443 -0.577 . . . . 7.6600000000000001 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 50.36 69.96 0.56 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 7.5099999999999998 109.116 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 5' ' ' LEU . 38.1 mtpt 52.37 68.7 2.89 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 6.8099999999999996 109.685 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.94 29.96 0.12 Allowed 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.68 1.587 . . . . 5.1500000000000004 110.496 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 3' ' ' LYS . 3.5 mm? -80.32 59.13 3.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.828 -1.17 . . . . 4.7000000000000002 108.986 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -77.38 169.84 17.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.1 -1.0 . . . . 2.48 108.774 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.54 148.95 51.35 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.142 -1.583 . . . . 1.0800000000000001 109.142 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 139.94 57.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -1.096 . . . . 1.7 109.643 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.35 145.56 28.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.505 -0.747 . . . . 1.04 109.466 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -135.22 138.99 44.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.197 -0.94 . . . . 0.65000000000000002 109.342 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -90.46 155.77 18.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.422 -0.799 . . . . 1.1399999999999999 109.004 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -145.85 128.33 16.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.022 . . . . 1.0900000000000001 109.039 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.53 126.62 33.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 1.3700000000000001 109.215 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.78 121.79 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.639 -0.663 . . . . 1.1499999999999999 109.345 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -77.22 144.62 38.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.569 -0.707 . . . . 2.79 110.075 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.73 125.28 0.93 Allowed Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.263 -0.898 . . . . 0.45000000000000001 111.078 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -65.72 -41.67 91.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -1.09 . . . . 3.1600000000000001 109.236 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.13 -42.96 95.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.753 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 39.1 ttm180 -61.07 -41.95 97.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.407 -0.808 . . . . 3.54 109.051 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.19 -49.26 78.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.5 109.143 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.5 -39.35 76.28 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.515 -0.92 . . . . 1.6599999999999999 108.515 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -60.09 -52.15 66.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.344 -0.847 . . . . 1.1499999999999999 110.475 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -67.2 -39.7 86.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.999 -1.063 . . . . 0.34000000000000002 109.837 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.89 -43.53 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 2.9399999999999999 108.906 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.671 -0.863 . . . . 1.74 108.671 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.52 -42.93 98.43 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.323 -0.861 . . . . 1.0700000000000001 109.261 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.48 -49.68 76.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 1.22 109.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 1.72 109.194 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.06 82.95 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.34 -0.85 . . . . 1.0700000000000001 109.351 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.0 -42.92 99.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.115 -0.991 . . . . 1.0800000000000001 109.333 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.13 -40.04 92.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.9099999999999999 109.582 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.13 -51.79 68.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 1.1499999999999999 109.031 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.67 -40.47 95.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.315 -0.866 . . . . 2.1400000000000001 109.18 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.93 -40.12 87.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 1.4299999999999999 110.114 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.18 88.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.031 -1.043 . . . . 1.3 110.113 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -71.9 -34.08 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.108 -0.995 . . . . 1.4199999999999999 110.001 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -66.3 -38.68 88.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.071 -1.018 . . . . 1.5800000000000001 109.201 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.01 41.63 0.89 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.513 -1.435 . . . . 1.54 109.513 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 37' ' ' ALA . 64.1 tttm -81.94 133.06 35.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.164 -1.197 . . . . 4.5499999999999998 109.362 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -58.52 149.38 61.52 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 5.71 108.872 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -54.57 138.64 75.24 Favored 'Trans proline' 0 C--N 1.322 -0.851 0 C-N-CA 121.03 1.153 . . . . 6.0899999999999999 109.866 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 CA-C-O 117.938 -1.479 . . . . 7.2400000000000002 109.468 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.389 0.614 . . . . 7.6699999999999999 109.456 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tttm 52.12 69.9 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 7.46 109.264 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.537 ' C ' ' H ' ' B' ' 5' ' ' LEU . 48.6 mtpt 53.37 66.16 4.95 Favored Pre-proline 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 6.79 109.507 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -67.5 34.0 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.697 1.598 . . . . 5.1500000000000004 109.938 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' B' ' 3' ' ' LYS . 3.9 mm? -83.02 60.9 5.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.003 -1.06 . . . . 4.6600000000000001 108.677 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -79.03 164.53 24.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.93 . . . . 2.4700000000000002 109.97 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.94 148.63 39.28 Favored Glycine 0 N--CA 1.487 2.038 0 N-CA-C 108.689 -1.764 . . . . 1.0600000000000001 108.689 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.69 139.91 57.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.238 -1.154 . . . . 1.6100000000000001 109.57 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -100.39 143.62 30.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.432 -0.793 . . . . 0.96999999999999997 109.442 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -132.61 139.26 47.69 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.238 -0.914 . . . . 0.59999999999999998 109.494 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 65.8 p -90.79 156.69 17.86 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.842 -0.799 . . . . 1.1000000000000001 108.842 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -147.63 127.54 13.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.022 . . . . 1.1000000000000001 108.817 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -83.7 128.64 34.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.246 -0.909 . . . . 1.3600000000000001 109.086 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -121.47 120.82 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.659 -0.65 . . . . 1.1699999999999999 109.933 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -75.56 143.59 42.33 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.519 -0.738 . . . . 2.79 110.133 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.24 125.44 0.86 Allowed Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.462 -0.875 . . . . 0.47999999999999998 111.457 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -64.73 -41.42 95.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.575 -0.956 . . . . 3.2200000000000002 109.511 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.1 -42.91 95.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 2.21 108.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.549 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 38.8 ttm180 -61.35 -43.04 99.55 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.57 -0.9 . . . . 3.5499999999999998 108.57 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.19 -48.7 80.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.52 -0.738 . . . . 0.52000000000000002 109.084 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.66 -39.87 81.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 1.6799999999999999 109.163 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.1 ttp -60.81 -51.82 67.71 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 1.1499999999999999 110.428 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.06 -39.81 90.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.33000000000000002 109.598 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -56.12 -42.43 76.87 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.51 -0.876 . . . . 3.02 108.692 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.05 -47.62 85.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.972 . . . . 1.75 108.979 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.85 -42.09 90.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 1.0700000000000001 109.521 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.363 -0.836 . . . . 1.21 109.723 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.54 -37.26 85.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.605 -0.684 . . . . 1.6899999999999999 109.324 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.75 84.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 1.0600000000000001 109.12 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.8 -41.87 98.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 1.0800000000000001 109.342 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.66 -40.32 94.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 1.9299999999999999 109.012 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.5 -52.43 65.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.779 -0.823 . . . . 1.1399999999999999 108.779 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -61.14 -40.76 95.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 2.1899999999999999 109.224 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.466 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.1 m-20 -60.55 -39.6 88.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.525 -0.735 . . . . 1.4299999999999999 110.068 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.4 94.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.079 -1.013 . . . . 1.3100000000000001 110.058 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.5 -32.77 70.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.766 -1.209 . . . . 1.3999999999999999 109.817 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -67.17 -39.7 86.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.5700000000000001 109.086 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.16 44.53 0.71 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.5 -1.44 . . . . 1.53 109.5 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' B' ' 37' ' ' ALA . 63.2 tttm -84.0 131.11 34.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.13 -1.218 . . . . 4.5800000000000001 109.08 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.54 148.41 74.27 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.374 -0.829 . . . . 5.6799999999999997 109.499 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -53.03 136.24 60.59 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.114 1.209 . . . . 6.0499999999999998 110.044 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.462 0 N-CA-C 109.391 -1.484 . . . . 7.2000000000000002 109.391 179.711 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.154 -0.684 . . . . 9.2200000000000006 109.154 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 47.9 69.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.02 -1.05 . . . . 8.5099999999999998 109.654 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.55 ' C ' ' H ' ' C' ' 5' ' ' LEU . 47.8 mtpt 51.79 67.0 4.51 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 7.4199999999999999 109.737 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -66.26 33.09 0.12 Allowed 'Trans proline' 0 C--N 1.321 -0.899 0 C-N-CA 121.717 1.611 . . . . 5.0499999999999998 110.392 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . 0.55 ' H ' ' C ' ' C' ' 3' ' ' LYS . 3.8 mm? -82.58 61.01 5.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 5.1399999999999997 108.609 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.7 168.0 19.91 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.48 -0.762 . . . . 2.8500000000000001 108.947 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.06 150.48 46.22 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.073 -1.611 . . . . 1.27 109.073 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.99 139.79 57.97 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.21 -1.17 . . . . 2.1099999999999999 109.523 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.5 140.62 35.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.372 -0.83 . . . . 1.01 109.566 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.63 139.85 51.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.332 -0.855 . . . . 0.57999999999999996 109.508 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -90.91 156.75 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.694 -0.854 . . . . 1.1599999999999999 108.694 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.05 127.97 14.48 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.061 -1.025 . . . . 1.1699999999999999 108.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -84.26 127.1 33.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.42 -0.8 . . . . 1.8100000000000001 109.284 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.2 122.24 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.343 -0.848 . . . . 1.1299999999999999 109.774 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -78.04 142.78 37.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.496 -0.753 . . . . 2.8199999999999998 110.543 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 124.22 1.19 Allowed Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.858 -0.897 . . . . 0.45000000000000001 110.858 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -64.09 -42.12 97.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -1.078 . . . . 3.0800000000000001 109.674 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.82 -42.4 93.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.045 -1.034 . . . . 2.54 108.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.496 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.674 -0.861 . . . . 4.1100000000000003 108.674 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.81 -48.42 81.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.483 -0.761 . . . . 0.56999999999999995 109.545 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.55 -39.21 83.23 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.191 -0.943 . . . . 1.6599999999999999 109.158 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 49.6 ttp -60.6 -53.38 58.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 1.29 110.416 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.94 -39.17 93.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.951 -1.093 . . . . 0.40000000000000002 109.565 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -56.49 -43.07 79.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.287 -0.883 . . . . 3.8500000000000001 108.823 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.18 -46.99 87.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.68 -0.859 . . . . 1.78 108.68 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.67 -43.76 88.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.451 -0.781 . . . . 1.1699999999999999 109.374 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -60.14 -48.63 80.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 1.2 109.888 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.6 -39.88 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.397 -0.814 . . . . 2.1200000000000001 109.798 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.94 91.1 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.457 -0.777 . . . . 1.0700000000000001 109.402 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.4 -41.36 98.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 1.1399999999999999 108.779 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.345 -0.847 . . . . 2.0899999999999999 108.798 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.51 -52.16 66.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.452 -0.78 . . . . 1.3799999999999999 109.379 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.428 ' HZ2' HD13 ' D' ' 32' ' ' LEU . 18.9 ttmm -61.12 -41.37 96.58 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.123 -0.985 . . . . 2.6800000000000002 109.225 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.557 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.6 m-20 -60.68 -39.6 89.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.594 -0.691 . . . . 1.3400000000000001 110.386 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.0 95.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.131 -0.981 . . . . 1.3 110.038 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -70.69 -34.77 72.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.995 -1.065 . . . . 1.8 109.343 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -64.72 -38.55 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 1.47 109.041 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.49 42.65 0.85 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.529 -1.428 . . . . 1.6599999999999999 109.529 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' C' ' 37' ' ' ALA . 64.3 tttm -83.41 131.34 35.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -1.185 . . . . 4.7800000000000002 109.72 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -56.7 148.96 44.24 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 6.1900000000000004 109.183 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -55.11 142.32 77.74 Favored 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 120.842 1.028 . . . . 6.1799999999999997 109.556 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.574 0 CA-C-O 117.954 -1.47 . . . . 6.9000000000000004 109.626 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.412 -0.588 . . . . 7.6900000000000004 109.412 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 tttm 49.95 71.42 0.4 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.246 -0.908 . . . . 7.4500000000000002 109.243 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.544 ' C ' ' H ' ' D' ' 5' ' ' LEU . 39.7 mtpt 51.43 65.46 6.5 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.296 -0.878 . . . . 6.8399999999999999 109.802 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -65.41 30.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 121.695 1.596 . . . . 5.1200000000000001 110.672 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . 0.544 ' H ' ' C ' ' D' ' 3' ' ' LYS . 3.6 mm? -80.87 61.12 4.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.746 -1.221 . . . . 4.6600000000000001 109.168 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -77.84 169.96 17.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.46 109.34 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.44 151.18 50.62 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.768 -1.733 . . . . 1.0800000000000001 108.768 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.65 138.82 58.33 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.237 -1.154 . . . . 1.6699999999999999 109.813 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 140.82 33.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.423 -0.798 . . . . 1.01 109.19 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.03 137.49 50.28 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.257 -0.902 . . . . 0.63 109.388 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.12 153.71 20.75 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.698 -0.853 . . . . 1.1299999999999999 108.698 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -144.79 128.5 17.22 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.12 -0.988 . . . . 1.1000000000000001 108.703 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.15 128.33 34.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 1.3700000000000001 109.359 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -120.65 121.79 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.606 -0.684 . . . . 1.1499999999999999 109.662 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.78 144.11 39.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.77 109.925 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 124.94 1.18 Allowed Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.196 -0.94 . . . . 0.42999999999999999 111.057 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -66.35 -40.8 90.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -1.158 . . . . 3.1200000000000001 108.921 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.26 -42.53 95.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.159 -0.963 . . . . 2.2200000000000002 108.707 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.466 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 39.2 ttm180 -61.92 -41.04 97.46 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.488 -0.758 . . . . 3.5 109.211 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.12 -49.2 78.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.817 . . . . 0.5 109.268 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.83 -39.18 77.05 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.446 -0.784 . . . . 1.6899999999999999 108.934 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 54.6 ttp -60.4 -52.8 63.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.326 -0.859 . . . . 1.1399999999999999 109.952 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.98 -39.88 90.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.123 -0.985 . . . . 0.32000000000000001 109.977 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.29 -42.29 77.28 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.084 -1.01 . . . . 2.96 108.526 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.13 -48.9 79.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.316 -0.865 . . . . 1.75 109.031 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.38 -42.85 95.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 1.0800000000000001 109.311 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.14 -50.23 74.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.232 -0.917 . . . . 1.22 109.882 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.45 -38.61 87.85 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.392 -0.818 . . . . 1.73 109.255 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.94 90.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.907 . . . . 1.0700000000000001 109.74 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -40.86 98.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.045 -1.034 . . . . 1.1100000000000001 109.088 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.85 -40.27 94.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 1.9099999999999999 109.343 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . 0.428 HD13 ' HZ2' ' C' ' 33' ' ' LYS . 3.7 tt -59.99 -51.54 69.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 1.1699999999999999 108.913 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.42 -40.4 96.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 2.1499999999999999 109.477 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.549 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.7 m-20 -60.4 -39.84 88.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.311 -0.868 . . . . 1.4399999999999999 110.146 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.52 90.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 1.3 109.89 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -72.4 -30.34 64.56 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.185 -0.947 . . . . 1.3999999999999999 110.023 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.497 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -69.8 -41.56 74.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.934 -1.104 . . . . 1.6000000000000001 109.393 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.0 42.81 0.49 Allowed Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.261 -1.535 . . . . 1.5 109.261 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' D' ' 37' ' ' ALA . 63.9 tttm -81.44 130.65 35.12 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.207 -1.172 . . . . 4.5499999999999998 109.095 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.58 147.71 59.32 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.376 -0.828 . . . . 5.6699999999999999 109.137 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -54.01 138.11 69.92 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.16 1.24 . . . . 6.1200000000000001 110.234 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.408 0 N-CA-C 109.529 -1.428 . . . . 7.2699999999999996 109.529 179.776 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.48 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 C--O 1.196 -1.724 0 CA-C-O 120.811 0.338 . . . . 7.6600000000000001 110.697 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 1' ' ' LYS . 91.4 mttt -166.63 108.36 0.69 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 105.874 -1.899 . . . . 7.5099999999999998 105.874 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 5' ' ' LEU . 25.6 mmtp 53.82 68.47 2.8 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.795 -1.19 . . . . 6.8099999999999996 108.929 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.41 60.35 0.19 Allowed 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.674 1.582 . . . . 5.1500000000000004 109.913 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LYS . 87.4 mt -82.9 47.78 1.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.016 -1.053 . . . . 4.7000000000000002 109.418 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -78.94 -99.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 2.48 109.731 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' CE1' ' A' ' 9' ' ' TYR . . . -70.12 145.76 41.74 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.707 -1.357 . . . . 1.0800000000000001 109.707 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.08 139.73 57.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -1.141 . . . . 1.7 109.324 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 95.9 m-85 -109.96 142.05 41.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.494 -0.754 . . . . 1.04 109.749 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.17 140.45 45.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.65000000000000002 109.528 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -89.63 155.09 19.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.282 -0.886 . . . . 1.1399999999999999 109.172 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.96 129.38 16.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.121 -0.987 . . . . 1.0900000000000001 109.285 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.08 127.94 34.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 1.3700000000000001 109.083 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.06 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.538 -0.726 . . . . 1.1499999999999999 110.186 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -75.63 145.93 40.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.457 -0.777 . . . . 2.79 109.701 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.96 0.98 Allowed Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.053 -1.219 . . . . 0.45000000000000001 110.053 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 17' ' ' ARG . 29.6 ttt-85 -67.96 -42.33 81.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -1.122 . . . . 3.1600000000000001 109.111 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.2 -41.4 92.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 108.945 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 38.8 ttm180 -60.04 -40.11 88.27 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.505 -0.747 . . . . 3.54 109.195 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.91 -46.82 88.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.439 -0.788 . . . . 0.5 109.615 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.93 -40.08 87.68 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.136 -0.977 . . . . 1.6599999999999999 109.659 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.15 -50.63 72.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 110.437 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -64.67 -39.98 94.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.007 . . . . 0.34000000000000002 109.521 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -54.37 -44.34 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.133 -0.979 . . . . 2.9399999999999999 108.668 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -48.11 83.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.062 -1.024 . . . . 1.74 108.513 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.02 -43.83 97.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.186 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 1.22 109.221 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -39.91 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.431 -0.793 . . . . 1.72 109.537 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.43 81.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 1.0700000000000001 109.73 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.93 -41.21 97.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 1.0800000000000001 109.6 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.97 -43.38 95.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.18 -0.95 . . . . 1.9099999999999999 109.613 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.99 -52.39 64.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.093 -1.004 . . . . 1.1499999999999999 109.236 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.5 -45.27 91.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.381 -0.824 . . . . 2.1400000000000001 109.77 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 66.1 m-20 -59.97 -40.11 87.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 1.4299999999999999 109.893 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.15 73.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 1.3 109.329 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.19 -36.94 74.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.47 -0.769 . . . . 1.4199999999999999 109.664 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.83 92.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.889 . . . . 1.5800000000000001 109.625 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.72 58.43 3.0 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.522 -1.431 . . . . 1.54 109.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.9 130.24 34.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.242 -1.152 . . . . 4.5499999999999998 109.596 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -57.85 148.97 56.43 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.227 -0.921 . . . . 5.71 108.79 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -54.7 146.15 56.35 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.84 1.027 . . . . 6.0899999999999999 109.762 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 CA-C-O 117.975 -1.458 . . . . 7.2400000000000002 109.561 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' B' ' 2' ' ' LYS . 97.0 mttt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.084 -0.71 . . . . 7.6699999999999999 109.084 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' B' ' 1' ' ' LYS . 96.9 mttt 96.31 101.73 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.608 0.763 . . . . 7.46 109.572 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' B' ' 5' ' ' LEU . 23.6 mmtp 51.76 68.87 2.84 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.639 -0.663 . . . . 6.79 110.457 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.33 59.39 0.25 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.651 1.567 . . . . 5.1500000000000004 109.6 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 3' ' ' LYS . 87.8 mt -82.25 47.62 1.16 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.957 -1.09 . . . . 4.6600000000000001 109.451 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -78.99 -97.19 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 2.4700000000000002 109.865 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.403 ' O ' ' CE1' ' B' ' 9' ' ' TYR . . . -72.05 145.3 37.78 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.562 -1.415 . . . . 1.0600000000000001 109.562 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.96 138.23 57.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -1.13 . . . . 1.6100000000000001 109.406 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' B' ' 7' ' ' GLY . 94.6 m-85 -108.55 141.94 39.71 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.457 -0.777 . . . . 0.96999999999999997 109.84 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -135.02 140.11 45.36 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.387 -0.82 . . . . 0.59999999999999998 109.456 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -89.09 155.28 19.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 1.1000000000000001 109.173 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.21 129.68 16.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.087 -1.008 . . . . 1.1000000000000001 109.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.48 127.98 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 1.3600000000000001 109.12 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -119.96 120.02 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.481 -0.762 . . . . 1.1699999999999999 110.231 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -75.57 145.39 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.462 -0.774 . . . . 2.79 109.903 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 122.21 0.95 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.134 -1.186 . . . . 0.47999999999999998 110.134 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' B' ' 17' ' ' ARG . 30.5 ttt-85 -67.13 -42.04 85.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -1.177 . . . . 3.2200000000000002 109.389 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.31 -41.68 93.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.025 -1.047 . . . . 2.21 108.92 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 39.0 ttm180 -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.537 -0.727 . . . . 3.5499999999999998 109.258 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.86 -47.03 87.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.512 -0.742 . . . . 0.52000000000000002 109.579 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -39.97 87.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.235 -0.916 . . . . 1.6799999999999999 109.554 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.07 -50.88 71.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.374 -0.829 . . . . 1.1499999999999999 110.272 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -64.36 -39.92 94.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.33000000000000002 109.593 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.61 -44.12 72.82 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.244 -0.91 . . . . 3.02 108.751 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -47.98 83.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 1.75 108.548 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.49 -43.8 96.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 1.0700000000000001 109.093 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.03 -49.85 76.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.359 -0.838 . . . . 1.21 109.182 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -39.99 90.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.5 -0.75 . . . . 1.6899999999999999 109.52 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.67 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 1.0600000000000001 109.7 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.55 -41.06 96.8 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.14 -0.975 . . . . 1.0800000000000001 109.582 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.01 -43.34 95.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.9299999999999999 109.511 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.16 -52.51 63.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.098 -1.001 . . . . 1.1399999999999999 109.218 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.4 -45.33 91.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.435 -0.791 . . . . 2.1899999999999999 109.832 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 64.7 m-20 -60.19 -40.16 89.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.897 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.99 73.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 1.3100000000000001 109.277 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.02 -37.58 75.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.308 -0.87 . . . . 1.3999999999999999 109.63 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.03 95.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.5700000000000001 109.721 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.53 58.42 2.48 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.715 -1.354 . . . . 1.53 109.715 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -85.04 130.27 34.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -1.178 . . . . 4.5800000000000001 109.606 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -58.04 149.04 58.15 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 5.6799999999999997 108.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -54.39 146.35 52.03 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 120.837 1.025 . . . . 6.0499999999999998 109.814 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.445 -1.462 . . . . 7.2000000000000002 109.445 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' C' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.222 -0.658 . . . . 9.2200000000000006 109.222 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' C' ' 1' ' ' LYS . 96.9 mttt 96.29 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 123.667 0.787 . . . . 8.5099999999999998 109.538 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' LEU . 23.5 mmtp 51.63 68.92 2.82 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.637 -0.664 . . . . 7.4199999999999999 110.568 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.31 59.19 0.25 Allowed 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.556 1.504 . . . . 5.0499999999999998 109.608 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' C' ' 3' ' ' LYS . 86.7 mt -82.08 47.32 1.1 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.959 -1.088 . . . . 5.1399999999999997 109.46 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -78.82 -98.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 2.8500000000000001 109.833 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . 0.424 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -70.51 145.35 40.4 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.658 -1.377 . . . . 1.27 109.658 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.99 139.47 57.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.158 -1.201 . . . . 2.1099999999999999 109.213 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . 0.424 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 95.4 m-85 -109.94 142.17 41.67 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.504 -0.748 . . . . 1.01 109.744 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.27 140.13 44.95 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.413 -0.804 . . . . 0.57999999999999996 109.567 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -89.19 155.0 19.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 1.1599999999999999 109.131 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.96 129.62 17.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.206 -0.934 . . . . 1.1699999999999999 109.192 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -85.24 128.08 34.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.884 . . . . 1.8100000000000001 109.079 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.06 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.487 -0.758 . . . . 1.1299999999999999 110.163 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -75.63 145.79 40.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 2.8199999999999998 109.62 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 122.68 0.96 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.052 -1.219 . . . . 0.45000000000000001 110.052 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' C' ' 17' ' ' ARG . 29.9 ttt-85 -68.05 -41.75 81.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -1.125 . . . . 3.0800000000000001 109.247 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.42 -41.71 94.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.037 -1.039 . . . . 2.54 108.873 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 4.1100000000000003 109.173 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.81 -46.7 88.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.56999999999999995 109.588 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.08 -40.03 88.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 109.556 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.1 -50.75 72.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 1.29 110.444 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.54 -40.0 94.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.997 -1.065 . . . . 0.40000000000000002 109.454 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -54.34 -44.58 72.23 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.937 . . . . 3.8500000000000001 108.779 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -47.97 83.65 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.116 -0.99 . . . . 1.78 108.582 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.11 -43.83 97.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 1.1699999999999999 109.124 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.317 -0.864 . . . . 1.2 109.238 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.472 -0.768 . . . . 2.1200000000000001 109.549 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.85 -48.71 80.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.395 -0.815 . . . . 1.0700000000000001 109.681 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.49 -40.96 96.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.186 -0.946 . . . . 1.1399999999999999 109.538 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 2.0899999999999999 109.561 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.13 -52.51 63.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.178 -0.951 . . . . 1.3799999999999999 109.292 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.25 -45.27 92.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 2.6800000000000002 109.778 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.54 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 62.5 m-20 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.848 . . . . 1.3400000000000001 109.824 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.65 72.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 1.3 109.369 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.21 -37.42 75.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 1.8 109.579 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.32 93.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 1.47 109.744 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.47 58.43 2.89 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.626 -1.39 . . . . 1.6599999999999999 109.626 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.15 130.46 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.332 -1.099 . . . . 4.7800000000000002 109.553 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -57.96 149.16 56.67 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 6.1900000000000004 108.946 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.5 146.02 54.86 Favored 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 120.844 1.029 . . . . 6.1799999999999997 109.711 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.97 -1.461 . . . . 6.9000000000000004 109.457 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' D' ' 2' ' ' LYS . 97.8 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.115 -0.698 . . . . 7.6900000000000004 109.115 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' D' ' 1' ' ' LYS . 96.9 mttt 96.59 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.613 0 C-N-CA 123.641 0.776 . . . . 7.4500000000000002 109.58 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' D' ' 5' ' ' LEU . 24.0 mmtp 51.85 68.97 2.74 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.714 -0.616 . . . . 6.8399999999999999 110.545 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.45 59.74 0.26 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.517 1.478 . . . . 5.1200000000000001 109.642 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' D' ' 3' ' ' LYS . 87.7 mt -82.26 47.57 1.16 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.968 -1.083 . . . . 4.6600000000000001 109.338 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -78.98 -98.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 2.46 109.86 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . 0.402 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -70.6 145.74 40.88 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.583 -1.407 . . . . 1.0800000000000001 109.583 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.31 139.46 57.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.262 -1.14 . . . . 1.6699999999999999 109.287 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 95.6 m-85 -109.72 141.92 41.65 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.395 -0.816 . . . . 1.01 109.736 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.97 140.06 45.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.425 -0.797 . . . . 0.63 109.533 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.93 155.51 19.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 1.1299999999999999 109.14 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.46 128.85 15.88 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 1.1000000000000001 109.253 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -84.54 128.15 34.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 1.3700000000000001 109.165 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.99 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.368 -0.833 . . . . 1.1499999999999999 110.29 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -75.86 145.98 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.447 -0.783 . . . . 2.77 109.751 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.01 122.43 0.94 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.042 -1.223 . . . . 0.42999999999999999 110.042 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' D' ' 17' ' ' ARG . 30.9 ttt-85 -67.64 -42.37 82.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.244 . . . . 3.1200000000000001 109.062 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.21 -41.12 92.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 108.902 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 38.8 ttm180 -60.29 -39.99 88.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.78 . . . . 3.5 109.182 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.02 -46.91 87.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.484 -0.76 . . . . 0.5 109.561 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.01 -39.94 87.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.213 -0.93 . . . . 1.6899999999999999 109.689 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -60.15 -50.46 73.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.172 -0.955 . . . . 1.1399999999999999 110.281 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -64.74 -39.93 94.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.02 -1.05 . . . . 0.32000000000000001 109.608 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -54.66 -44.12 73.0 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.231 -0.918 . . . . 2.96 108.659 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.93 -48.06 83.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.157 -0.965 . . . . 1.75 108.597 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.45 -43.6 96.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 1.0800000000000001 109.216 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.98 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.331 -0.856 . . . . 1.22 109.201 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.04 90.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 1.73 109.466 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.63 -48.59 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.331 -0.855 . . . . 1.0700000000000001 109.677 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.74 -41.1 97.21 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.247 -0.908 . . . . 1.1100000000000001 109.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.13 -43.32 95.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.5 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.05 -52.42 64.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 1.1699999999999999 109.321 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.57 -45.23 91.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.403 -0.81 . . . . 2.1499999999999999 109.781 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.527 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 65.8 m-20 -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.859 . . . . 1.4399999999999999 110.007 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.14 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 1.3 109.478 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.08 -37.39 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.456 -0.777 . . . . 1.3999999999999999 109.664 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.99 93.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.271 -0.893 . . . . 1.6000000000000001 109.652 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.52 58.39 2.91 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.582 -1.407 . . . . 1.5 109.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -85.02 131.9 34.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.202 -1.175 . . . . 4.5499999999999998 109.451 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.92 148.59 76.32 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 5.6699999999999999 108.91 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -53.63 146.69 42.63 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 120.864 1.042 . . . . 6.1200000000000001 109.703 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.927 -1.485 . . . . 7.2699999999999996 109.485 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' A' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.465 -0.569 . . . . 7.6600000000000001 109.465 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' LYS . 68.2 mttm 58.87 -5.49 0.06 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.858 -0.526 . . . . 7.5099999999999998 111.021 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.549 ' H ' ' C ' ' A' ' 1' ' ' LYS . 80.9 tttt 39.33 73.61 0.79 Allowed Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.234 -0.916 . . . . 6.8099999999999996 110.592 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.75 172.35 8.36 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.343 1.362 . . . . 5.1500000000000004 109.696 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.82 121.71 26.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.172 -0.955 . . . . 4.7000000000000002 108.702 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.13 170.16 16.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.312 -0.868 . . . . 2.48 109.249 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.8 149.01 51.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.755 -1.738 . . . . 1.0800000000000001 108.755 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.01 136.25 57.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.089 -1.242 . . . . 1.7 109.591 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.38 147.25 23.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.566 -0.709 . . . . 1.04 109.524 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -137.48 140.85 41.45 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.37 -0.831 . . . . 0.65000000000000002 109.396 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.41 156.78 18.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 109.241 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -147.17 130.07 16.23 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.121 -0.987 . . . . 1.0900000000000001 109.223 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.46 128.86 34.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.479 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.45 119.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 1.1499999999999999 109.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 2.0 tmm_? -79.89 130.65 35.47 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 2.79 109.943 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.41 114.03 3.9 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 110.138 -1.185 . . . . 0.45000000000000001 110.138 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -60.11 -46.83 88.28 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.341 -1.094 . . . . 3.1600000000000001 109.254 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.99 -40.1 88.0 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 109.042 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' D' ' 25' ' ' GLU . 8.0 tpp180 -62.04 -40.02 94.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.426 -0.796 . . . . 3.54 109.114 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.11 -45.95 89.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.392 -0.818 . . . . 0.5 108.9 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.91 -40.79 90.01 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 108.874 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.9 ttp -62.14 -50.15 73.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 1.1499999999999999 109.297 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.92 -39.97 96.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.442 -0.786 . . . . 0.34000000000000002 109.387 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.47 -43.19 88.82 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.138 -0.976 . . . . 2.9399999999999999 108.48 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' D' ' 19' ' ' ARG . 88.3 tt0 -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.337 -0.852 . . . . 1.74 108.986 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.87 -43.47 98.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 1.0700000000000001 109.238 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.82 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.426 -0.797 . . . . 1.22 109.137 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.58 -40.02 93.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.549 -0.719 . . . . 1.72 109.988 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.32 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.21 -0.931 . . . . 1.0700000000000001 109.523 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.38 -40.93 98.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.186 -0.946 . . . . 1.0800000000000001 109.608 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.16 -44.6 94.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.58 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.13 -49.99 75.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.157 -0.964 . . . . 1.1499999999999999 109.428 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -61.12 -40.06 92.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 2.1400000000000001 109.255 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD2' ' NH2' ' C' ' 15' ' ' ARG . 90.5 m-20 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 1.4299999999999999 109.623 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.67 88.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 1.3 109.423 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.56 -10.12 59.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.961 . . . . 1.4199999999999999 109.723 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.01 63.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 1.5800000000000001 109.479 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.77 9.89 34.73 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.553 -1.419 . . . . 1.54 109.553 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -83.04 129.99 35.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.139 -1.212 . . . . 4.5499999999999998 109.31 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.44 149.08 62.11 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 5.71 109.049 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -56.3 154.74 27.72 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 120.925 1.083 . . . . 6.0899999999999999 109.778 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.507 -1.437 . . . . 7.2400000000000002 109.507 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.554 ' C ' ' H ' ' B' ' 3' ' ' LYS . 67.8 mttm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.376 -0.602 . . . . 7.6699999999999999 109.376 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 3' ' ' LYS . 68.3 mttm 59.55 -6.73 0.06 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.896 -0.503 . . . . 7.46 110.848 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.554 ' H ' ' C ' ' B' ' 1' ' ' LYS . 80.9 tttt 40.57 74.11 0.77 Allowed Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.124 -0.985 . . . . 6.79 110.783 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.52 171.29 10.88 Favored 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.384 1.39 . . . . 5.1500000000000004 109.841 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.87 121.03 25.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 4.6600000000000001 109.011 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.37 166.66 21.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.862 . . . . 2.4700000000000002 109.563 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.93 148.17 43.02 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.939 -1.664 . . . . 1.0600000000000001 108.939 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.91 137.18 58.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.045 -1.267 . . . . 1.6100000000000001 109.49 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.22 147.37 23.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.48 -0.762 . . . . 0.96999999999999997 109.538 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.54 141.13 41.4 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.331 -0.856 . . . . 0.59999999999999998 109.358 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 58.0 p -88.35 157.26 18.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.166 -0.959 . . . . 1.1000000000000001 109.173 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.41 130.08 16.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.17 -0.956 . . . . 1.1000000000000001 109.178 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' D' ' 9' ' ' TYR . 7.4 tt0 -84.39 128.39 34.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 1.3600000000000001 109.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.95 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.431 -0.793 . . . . 1.1699999999999999 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.505 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 1.9 tmm_? -79.54 131.45 36.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.3 -0.875 . . . . 2.79 109.815 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.56 114.32 3.94 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 110.326 -1.109 . . . . 0.47999999999999998 110.326 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.96 -47.2 86.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -1.097 . . . . 3.2200000000000002 109.265 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 2.21 109.14 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.501 ' NH1' ' OE2' ' C' ' 25' ' ' GLU . 8.7 tpp180 -61.91 -39.95 93.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.397 -0.815 . . . . 3.5499999999999998 108.945 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.07 -46.17 88.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.8 . . . . 0.52000000000000002 108.917 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 -40.12 87.75 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.722 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.48 -49.99 73.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.469 -0.769 . . . . 1.1499999999999999 109.388 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.23 -40.05 96.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.399 -0.813 . . . . 0.33000000000000002 109.487 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -58.32 -42.84 87.62 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.087 -1.008 . . . . 3.02 108.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.51 ' OE2' ' NH1' ' C' ' 19' ' ' ARG . 88.9 tt0 -60.07 -48.24 82.54 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.39 -0.819 . . . . 1.75 108.972 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.42 -43.63 98.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 1.0700000000000001 109.14 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -60.03 -47.91 83.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 1.21 109.283 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.45 -40.01 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.558 -0.714 . . . . 1.6899999999999999 110.1 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.8 -46.61 88.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.16 -0.963 . . . . 1.0600000000000001 109.562 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.71 -41.15 99.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 109.635 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.437 -0.789 . . . . 1.9299999999999999 109.595 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.04 -49.94 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 1.1399999999999999 109.382 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -61.14 -40.08 92.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 2.1899999999999999 109.336 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' NH2' ' D' ' 15' ' ' ARG . 86.8 m-20 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.639 -0.663 . . . . 1.4299999999999999 109.762 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.02 90.2 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.236 -0.915 . . . . 1.3100000000000001 109.532 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -80.13 -9.87 59.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.102 -0.999 . . . . 1.3999999999999999 109.792 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.01 -19.89 63.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.115 -0.991 . . . . 1.5700000000000001 109.384 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.94 10.16 34.47 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.618 -1.393 . . . . 1.53 109.618 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.37 130.3 35.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -1.179 . . . . 4.5800000000000001 109.337 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.79 148.72 67.37 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 5.6799999999999997 109.041 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -56.07 154.31 28.44 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 C-N-CA 120.915 1.077 . . . . 6.0499999999999998 109.942 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 118.053 -1.415 . . . . 7.2000000000000002 109.574 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.553 ' C ' ' H ' ' C' ' 3' ' ' LYS . 67.6 mttm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.479 -0.564 . . . . 9.2200000000000006 109.479 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' C' ' 3' ' ' LYS . 68.2 mttm 58.77 -6.33 0.05 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.786 -0.572 . . . . 8.5099999999999998 111.001 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.553 ' H ' ' C ' ' C' ' 1' ' ' LYS . 81.0 tttt 40.03 74.11 0.75 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.183 -0.948 . . . . 7.4199999999999999 110.599 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.46 171.97 9.81 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.419 1.413 . . . . 5.0499999999999998 109.7 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.35 120.88 25.51 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.193 -0.942 . . . . 5.1399999999999997 108.752 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.03 169.79 17.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 2.8500000000000001 109.077 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.61 149.35 50.36 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.645 -1.782 . . . . 1.27 108.645 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.13 136.48 58.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.179 -1.189 . . . . 2.1099999999999999 109.466 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.77 147.27 23.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.348 -0.845 . . . . 1.01 109.498 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -137.23 141.53 42.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.403 -0.811 . . . . 0.57999999999999996 109.286 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 66.3 p -89.11 156.52 18.77 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 1.1599999999999999 109.185 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -146.78 129.96 16.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.066 -1.021 . . . . 1.1699999999999999 109.172 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.31 128.62 34.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.8100000000000001 109.373 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 120.04 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.514 -0.741 . . . . 1.1299999999999999 109.267 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.48 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 1.7 tmm_? -79.4 131.23 36.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.338 -0.851 . . . . 2.8199999999999998 109.766 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.88 114.26 3.94 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.48 -1.048 . . . . 0.45000000000000001 110.48 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.04 -47.12 87.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 3.0800000000000001 109.249 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.897 -1.127 . . . . 2.54 109.076 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.51 ' NH1' ' OE2' ' B' ' 25' ' ' GLU . 8.6 tpp180 -61.58 -40.08 93.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.432 -0.792 . . . . 4.1100000000000003 108.973 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.29 -46.29 88.96 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.448 -0.782 . . . . 0.56999999999999995 109.082 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.88 -40.1 87.54 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.174 -0.954 . . . . 1.6599999999999999 108.57 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.32 -49.87 73.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.33 -0.856 . . . . 1.29 109.349 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -63.64 -40.04 95.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.448 -0.782 . . . . 0.40000000000000002 109.43 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -58.34 -42.81 87.66 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.003 -1.06 . . . . 3.8500000000000001 108.517 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' B' ' 19' ' ' ARG . 89.0 tt0 -59.97 -48.39 81.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.287 -0.883 . . . . 1.78 108.969 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.12 -43.92 98.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 1.1699999999999999 109.259 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.53 85.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.427 -0.796 . . . . 1.2 109.255 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.76 -39.9 93.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.518 -0.739 . . . . 2.1200000000000001 109.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.79 88.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.147 -0.971 . . . . 1.0700000000000001 109.549 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.52 -41.12 98.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.157 -0.964 . . . . 1.1399999999999999 109.667 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.23 -44.42 95.21 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 2.0899999999999999 109.673 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.14 -49.9 75.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 1.3799999999999999 109.175 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.57 -39.97 93.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.18 -0.95 . . . . 2.6800000000000002 109.212 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.492 ' OD2' ' NH2' ' A' ' 15' ' ' ARG . 89.8 m-20 -59.96 -40.12 87.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -0.77 . . . . 1.3400000000000001 109.657 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.98 88.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 1.3 109.644 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.25 -10.0 59.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.225 -0.922 . . . . 1.8 109.81 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.99 -19.78 63.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.47 109.424 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.18 9.58 39.28 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.63 -1.388 . . . . 1.6599999999999999 109.63 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -82.72 130.75 35.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -1.131 . . . . 4.7800000000000002 109.398 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.24 148.74 71.11 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.23 -0.919 . . . . 6.1900000000000004 109.15 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.96 154.24 28.14 Favored 'Trans proline' 0 C--N 1.323 -0.78 0 C-N-CA 121.039 1.159 . . . . 6.1799999999999997 109.697 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.454 -1.458 . . . . 6.9000000000000004 109.454 -179.874 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.542 ' C ' ' H ' ' D' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.432 -0.581 . . . . 7.6900000000000004 109.432 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' D' ' 3' ' ' LYS . 68.2 mttm 59.49 -6.7 0.06 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.871 -0.518 . . . . 7.4500000000000002 110.823 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' D' ' 1' ' ' LYS . 81.1 tttt 40.14 74.07 0.76 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.179 -0.95 . . . . 6.8399999999999999 110.525 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.36 172.44 8.98 Favored 'Trans proline' 0 C--N 1.317 -1.127 0 C-N-CA 121.525 1.483 . . . . 5.1200000000000001 109.567 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.18 121.29 26.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 4.6600000000000001 108.829 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.05 169.73 17.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.295 -0.878 . . . . 2.46 109.339 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.72 148.75 50.66 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.635 -1.786 . . . . 1.0800000000000001 108.635 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 136.93 58.16 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.181 -1.188 . . . . 1.6699999999999999 109.378 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.433 ' CD2' ' OE1' ' B' ' 13' ' ' GLN . 97.8 m-85 -96.18 146.67 24.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.423 -0.798 . . . . 1.01 109.544 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -136.81 141.35 42.89 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.407 -0.808 . . . . 0.63 109.439 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -88.57 157.23 18.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 1.1299999999999999 109.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.46 129.99 15.88 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.073 -1.017 . . . . 1.1000000000000001 109.163 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.39 128.85 34.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.491 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.12 119.97 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.459 -0.776 . . . . 1.1499999999999999 109.348 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . 0.521 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 1.8 tmm_? -79.73 130.75 35.61 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 2.77 109.914 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.94 114.58 3.98 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.281 -1.128 . . . . 0.42999999999999999 110.281 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.93 -47.34 86.18 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.463 -1.022 . . . . 3.1200000000000001 109.422 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.0 -40.13 88.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.908 -1.12 . . . . 2.2200000000000002 108.999 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.445 ' NH1' ' OE2' ' A' ' 25' ' ' GLU . 8.0 tpp180 -61.93 -39.95 93.84 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.329 -0.857 . . . . 3.5 109.009 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.02 -45.99 89.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.866 -0.79 . . . . 0.5 108.866 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 -40.39 88.82 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.187 -0.946 . . . . 1.6899999999999999 108.972 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.8 ttp -62.66 -50.0 72.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 1.1399999999999999 109.233 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.97 -40.02 96.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.807 . . . . 0.32000000000000001 109.437 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.67 -42.72 89.09 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.044 -1.035 . . . . 2.96 108.38 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 88.1 tt0 -60.18 -47.99 83.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.896 . . . . 1.75 108.936 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.39 -44.0 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 1.0800000000000001 109.202 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.98 -47.32 86.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.406 -0.809 . . . . 1.22 109.354 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.95 -40.09 94.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 1.73 109.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -46.01 90.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 1.0700000000000001 109.651 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.57 -40.58 97.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.09 -1.006 . . . . 1.1100000000000001 109.339 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.14 -44.93 94.58 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.269 -0.894 . . . . 1.9099999999999999 109.78 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.216 -0.928 . . . . 1.1699999999999999 109.347 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.07 -40.19 92.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 2.1499999999999999 109.201 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.505 ' OD2' ' NH2' ' B' ' 15' ' ' ARG . 90.2 m-20 -59.89 -40.12 87.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.524 -0.735 . . . . 1.4399999999999999 109.655 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.06 89.1 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.266 -0.896 . . . . 1.3 109.501 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.2 -9.87 59.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -0.893 . . . . 1.3999999999999999 109.797 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 -19.94 63.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 1.6000000000000001 109.452 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.76 9.19 38.36 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.557 -1.417 . . . . 1.5 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.34 131.01 35.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -1.122 . . . . 4.5499999999999998 109.414 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 148.28 77.1 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 5.6699999999999999 109.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -55.54 154.12 26.26 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.138 1.225 . . . . 6.1200000000000001 109.921 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.957 -1.468 . . . . 7.2699999999999996 109.519 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.661 -0.496 . . . . 7.6600000000000001 109.661 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 32.3 ttmt 46.7 92.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.323 -0.861 . . . . 7.5099999999999998 109.135 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.537 ' C ' ' H ' ' A' ' 5' ' ' LEU . 42.1 mttp 89.68 71.05 0.04 OUTLIER Pre-proline 0 N--CA 1.51 2.541 0 C-N-CA 123.086 0.555 . . . . 6.8099999999999996 109.879 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -65.16 12.85 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.932 0 C-N-CA 121.73 1.62 . . . . 5.1500000000000004 110.153 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' H ' ' C ' ' A' ' 3' ' ' LYS . 87.2 mt -81.28 123.09 28.21 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.072 -1.018 . . . . 4.7000000000000002 109.311 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -82.95 -110.78 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.329 -0.857 . . . . 2.48 109.961 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.26 143.75 39.79 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 110.002 -1.239 . . . . 1.0800000000000001 110.002 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.77 140.02 57.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -1.068 . . . . 1.7 109.734 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.9 146.61 24.44 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.558 -0.714 . . . . 1.04 109.373 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -136.33 140.83 43.61 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.28 -0.888 . . . . 0.65000000000000002 110.041 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -89.9 152.12 21.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.406 -0.809 . . . . 1.1399999999999999 109.082 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.56 130.47 20.48 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.16 -0.963 . . . . 1.0900000000000001 109.165 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -84.87 128.56 34.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 1.3700000000000001 109.328 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.02 124.38 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.521 -0.737 . . . . 1.1499999999999999 110.023 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' H ' ' H2 ' ' C' ' 501' ' ' HOH . 71.0 ttt180 -75.35 143.86 42.62 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.518 -0.738 . . . . 2.79 110.439 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.24 121.84 0.93 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.646 -0.982 . . . . 0.45000000000000001 110.646 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.9 ttt-85 -67.19 -42.74 83.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.375 -1.074 . . . . 3.1600000000000001 109.041 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -43.18 95.66 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.057 -1.027 . . . . 2.2200000000000002 108.451 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.456 HH12 ' CD ' ' D' ' 25' ' ' GLU . 10.3 tpp180 -60.41 -39.98 89.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.474 -0.766 . . . . 3.54 108.936 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.3 -45.23 88.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.5 108.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.46 -40.05 85.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.253 -0.904 . . . . 1.6599999999999999 108.633 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 29.7 ttp -62.52 -49.94 73.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.278 -0.889 . . . . 1.1499999999999999 109.301 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.81 -40.02 93.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.34000000000000002 109.207 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.79 -44.54 77.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.094 -1.004 . . . . 2.9399999999999999 108.586 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -47.95 83.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 1.74 109.388 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.25 -44.36 97.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.16 -0.963 . . . . 1.0700000000000001 109.397 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 1.22 109.279 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -39.86 91.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.45 -0.781 . . . . 1.72 109.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.98 78.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 1.0700000000000001 109.803 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.35 -41.59 98.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.07 -1.018 . . . . 1.0800000000000001 109.301 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.74 95.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.601 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.04 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 1.1499999999999999 109.216 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.7 -46.88 87.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 2.1400000000000001 109.319 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.978 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 1.3 109.955 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -81.01 -9.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.034 -1.042 . . . . 1.4199999999999999 109.478 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.4 84.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 1.5800000000000001 109.419 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.7 44.33 2.73 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.909 -1.276 . . . . 1.54 109.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -83.68 150.97 25.53 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.253 . . . . 4.5499999999999998 109.537 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -55.87 150.01 30.21 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 5.71 108.874 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -53.24 163.23 2.46 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 121.005 1.136 . . . . 6.0899999999999999 109.846 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.503 -1.439 . . . . 7.2400000000000002 109.503 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.758 -0.46 . . . . 7.6699999999999999 109.758 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 32.2 ttmt 46.68 91.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 7.46 109.161 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' B' ' 5' ' ' LEU . 41.8 mttp 89.74 70.69 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.583 0 C-N-CA 123.037 0.535 . . . . 6.79 109.957 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.77 13.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.736 1.624 . . . . 5.1500000000000004 110.235 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' B' ' 3' ' ' LYS . 86.8 mt -81.5 122.87 28.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.05 . . . . 4.6600000000000001 109.354 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -82.77 -110.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.32 -0.863 . . . . 2.4700000000000002 109.942 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.73 143.35 38.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.933 -1.267 . . . . 1.0600000000000001 109.933 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.55 139.99 57.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -1.068 . . . . 1.6100000000000001 109.803 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.98 147.38 23.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.357 -0.839 . . . . 0.96999999999999997 109.429 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -136.84 141.53 42.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.271 -0.893 . . . . 0.59999999999999998 110.002 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -90.8 151.34 21.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.51 -0.744 . . . . 1.1000000000000001 109.085 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.73 130.28 21.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.267 -0.895 . . . . 1.1000000000000001 109.179 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.18 128.82 34.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 1.3600000000000001 109.242 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.42 124.19 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.553 -0.717 . . . . 1.1699999999999999 109.794 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.474 ' H ' ' H2 ' ' D' ' 503' ' ' HOH . 71.1 ttt180 -75.09 144.5 42.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.552 -0.717 . . . . 2.79 110.285 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.58 121.42 0.81 Allowed Glycine 0 N--CA 1.495 2.598 0 C-N-CA 120.396 -0.907 . . . . 0.47999999999999998 110.88 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 38.1 ttt-85 -66.82 -42.92 85.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 3.2200000000000002 109.174 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.91 -43.23 94.97 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.039 -1.038 . . . . 2.21 108.381 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.542 HH12 ' CD ' ' C' ' 25' ' ' GLU . 10.1 tpp180 -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.417 -0.802 . . . . 3.5499999999999998 108.985 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.43 -45.06 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.36 -0.838 . . . . 0.52000000000000002 109.06 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 99.3 mt-10 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.259 -0.901 . . . . 1.6799999999999999 108.572 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 28.2 ttp -62.2 -50.44 71.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.368 -0.833 . . . . 1.1499999999999999 109.305 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.67 -40.03 93.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.386 -0.821 . . . . 0.33000000000000002 109.189 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.6 -44.5 77.03 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.219 -0.925 . . . . 3.02 108.66 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.53 ' CD ' HH12 ' C' ' 19' ' ' ARG . 88.4 tt0 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.361 -0.837 . . . . 1.75 109.332 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.87 -44.33 97.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 1.0700000000000001 109.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.03 -50.05 75.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 1.21 109.324 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.01 -39.72 90.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.479 -0.763 . . . . 1.6899999999999999 109.931 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.33 77.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.159 -0.963 . . . . 1.0600000000000001 109.634 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.92 -41.65 98.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.014 . . . . 1.0800000000000001 109.352 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.77 95.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.299 -0.876 . . . . 1.9299999999999999 109.718 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.326 -0.858 . . . . 1.1399999999999999 109.203 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.64 -47.33 85.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.413 -0.805 . . . . 2.1899999999999999 109.352 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.95 -39.98 87.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.625 -0.672 . . . . 1.4299999999999999 110.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.08 95.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.885 . . . . 1.3100000000000001 109.768 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.69 -9.89 59.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 1.3999999999999999 109.643 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.12 82.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 1.5700000000000001 109.363 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 44.8 2.89 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.944 -1.263 . . . . 1.53 109.944 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -83.93 151.11 25.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.147 -1.208 . . . . 4.5800000000000001 109.398 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.87 149.97 30.48 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.174 -0.954 . . . . 5.6799999999999997 109.015 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -53.12 162.68 2.67 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.118 1.212 . . . . 6.0499999999999998 109.907 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.476 -1.449 . . . . 7.2000000000000002 109.476 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' C' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.727 -0.471 . . . . 9.2200000000000006 109.727 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' C' ' 3' ' ' LYS . 32.1 ttmt 46.68 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.171 -0.956 . . . . 8.5099999999999998 109.171 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' C' ' 5' ' ' LEU . 42.3 mttp 90.07 70.94 0.04 OUTLIER Pre-proline 0 N--CA 1.509 2.51 0 C-N-CA 123.13 0.572 . . . . 7.4199999999999999 109.886 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -65.15 12.94 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 121.674 1.583 . . . . 5.0499999999999998 110.328 179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' C' ' 3' ' ' LYS . 87.4 mt -81.56 122.87 28.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.928 -1.107 . . . . 5.1399999999999997 109.295 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -82.87 -109.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 2.8500000000000001 110.047 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.4 143.29 37.02 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.984 -1.246 . . . . 1.27 109.984 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 139.97 57.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 2.1099999999999999 109.641 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -96.2 146.41 24.71 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.488 -0.758 . . . . 1.01 109.336 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -136.2 140.82 43.84 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.275 -0.891 . . . . 0.57999999999999996 109.964 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.84 154.09 20.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.847 . . . . 1.1599999999999999 108.998 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.19 129.91 18.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 1.1699999999999999 109.211 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.02 128.78 34.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 1.8100000000000001 109.433 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.16 124.29 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.521 -0.737 . . . . 1.1299999999999999 109.847 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.485 ' H ' ' H2 ' ' A' ' 502' ' ' HOH . 71.2 ttt180 -75.22 144.39 42.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.419 -0.8 . . . . 2.8199999999999998 110.252 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.57 121.91 0.84 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.728 -0.949 . . . . 0.45000000000000001 110.728 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' C' ' 17' ' ' ARG . 36.4 ttt-85 -67.25 -42.41 83.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -1.062 . . . . 3.0800000000000001 109.195 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.4 -43.15 96.94 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.321 -0.992 . . . . 2.54 108.321 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.53 HH12 ' CD ' ' B' ' 25' ' ' GLU . 9.9 tpp180 -60.35 -39.92 88.87 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.949 -0.76 . . . . 4.1100000000000003 108.949 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.0 -44.27 91.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.56999999999999995 108.979 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.93 -40.02 87.49 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.251 -0.906 . . . . 1.6599999999999999 108.566 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 28.9 ttp -62.52 -50.36 71.68 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.469 -0.769 . . . . 1.29 109.499 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.72 -39.96 93.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.395 -0.815 . . . . 0.40000000000000002 109.136 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.52 -44.59 76.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.183 -0.948 . . . . 3.8500000000000001 108.691 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . 0.542 ' CD ' HH12 ' B' ' 19' ' ' ARG . 88.5 tt0 -60.09 -48.18 82.81 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.354 -0.841 . . . . 1.78 109.338 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.92 -44.5 97.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 1.1699999999999999 109.331 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.92 -50.03 75.38 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.22 -0.925 . . . . 1.2 109.234 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.98 -40.04 91.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 2.1200000000000001 109.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.97 74.63 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 1.0700000000000001 109.609 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.33 -41.88 97.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.058 -1.026 . . . . 1.1399999999999999 109.381 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.54 94.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 2.0899999999999999 109.467 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 1.3799999999999999 109.257 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.71 -47.14 86.6 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.366 -0.834 . . . . 2.6800000000000002 109.259 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.97 -40.07 87.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.556 -0.715 . . . . 1.3400000000000001 110.01 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.0 94.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 1.3 110.011 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -80.66 -9.93 59.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 1.8 109.566 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.16 85.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.47 109.509 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.31 43.68 2.55 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.011 -1.236 . . . . 1.6599999999999999 110.011 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.88 151.17 26.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.085 -1.244 . . . . 4.7800000000000002 109.515 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -55.97 150.27 30.02 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 6.1900000000000004 108.874 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.64 163.06 3.01 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.045 1.163 . . . . 6.1799999999999997 109.847 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.935 -1.481 . . . . 6.9000000000000004 109.583 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 109.297 -0.631 . . . . 7.6900000000000004 109.297 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' D' ' 3' ' ' LYS . 32.0 ttmt 65.94 -12.25 0.18 Allowed 'General case' 0 N--CA 1.509 2.491 0 N-CA-C 114.219 1.192 . . . . 7.4500000000000002 114.219 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' D' ' 5' ' ' LEU . 44.4 mttp -165.81 78.96 1.18 Allowed Pre-proline 0 C--N 1.283 -2.299 0 N-CA-C 105.857 -1.905 . . . . 6.8399999999999999 105.857 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.64 11.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.318 -1.052 0 C-N-CA 121.114 1.209 . . . . 5.1200000000000001 111.394 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' D' ' 3' ' ' LYS . 87.3 mt -83.38 121.25 26.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.901 -1.124 . . . . 4.6600000000000001 109.032 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -82.74 -108.4 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.209 -0.932 . . . . 2.46 109.869 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.35 142.83 36.31 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.83 -1.308 . . . . 1.0800000000000001 109.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.63 139.97 57.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.343 -1.092 . . . . 1.6699999999999999 109.787 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.68 147.31 23.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.406 -0.809 . . . . 1.01 109.554 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.81 140.96 42.86 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.296 -0.877 . . . . 0.63 110.062 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.8 p -90.45 151.29 21.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.378 -0.826 . . . . 1.1299999999999999 109.069 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.52 130.53 21.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 1.1000000000000001 109.357 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.53 128.74 34.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.262 -0.899 . . . . 1.3700000000000001 109.257 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.33 123.96 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.488 -0.757 . . . . 1.1499999999999999 109.798 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . 0.496 ' H ' ' H2 ' ' B' ' 504' ' ' HOH . 71.2 ttt180 -74.84 144.33 43.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.443 -0.786 . . . . 2.77 110.379 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.8 121.17 0.82 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.766 -0.934 . . . . 0.42999999999999999 110.766 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -66.52 -42.79 86.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.427 -1.043 . . . . 3.1200000000000001 109.24 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -43.24 95.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.107 -0.996 . . . . 2.2200000000000002 108.407 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -60.24 -40.05 88.87 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.014 -0.736 . . . . 3.5 109.014 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.55 -44.84 89.79 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.237 -0.915 . . . . 0.5 109.051 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -40.0 87.2 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 1.6899999999999999 108.627 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 29.2 ttp -62.35 -49.96 73.5 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.375 -0.828 . . . . 1.1399999999999999 109.35 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.87 -39.96 93.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.32000000000000001 109.224 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.94 -44.47 78.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.139 -0.976 . . . . 2.96 108.654 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . 0.456 ' CD ' HH12 ' A' ' 19' ' ' ARG . 88.6 tt0 -59.95 -47.99 83.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.532 -0.73 . . . . 1.75 109.321 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.29 -44.45 97.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.184 -0.948 . . . . 1.0800000000000001 109.259 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.06 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 1.22 109.249 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -40.01 91.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.461 -0.774 . . . . 1.73 110.041 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.58 76.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.192 -0.942 . . . . 1.0700000000000001 109.63 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.84 -41.37 97.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.04 -1.037 . . . . 1.1100000000000001 109.499 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -42.73 96.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 1.1699999999999999 109.006 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.59 -47.3 86.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.839 . . . . 2.1499999999999999 109.49 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.07 -40.04 88.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.694 -0.629 . . . . 1.4399999999999999 110.045 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.97 94.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 1.3 109.88 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.99 -9.66 59.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.16 -0.963 . . . . 1.3999999999999999 109.526 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.71 84.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 1.6000000000000001 109.39 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.4 43.44 2.53 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.046 -1.222 . . . . 1.5 110.046 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -82.41 154.38 25.22 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.076 -1.249 . . . . 4.5499999999999998 109.274 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 150.02 70.92 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 5.6699999999999999 108.65 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.7 162.47 2.42 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 C-N-CA 120.979 1.119 . . . . 6.1200000000000001 109.785 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.459 -1.457 . . . . 7.2699999999999996 109.459 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.485 ' H2 ' ' H ' ' C' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . 0.496 ' H2 ' ' H ' ' D' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . 0.479 ' H2 ' ' H ' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . 0.474 ' H2 ' ' H ' ' B' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.189 -0.671 . . . . 7.6600000000000001 109.189 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.7 mttt 47.46 -117.55 0.84 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 7.5099999999999998 109.799 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 48.96 65.91 6.45 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.135 -0.978 . . . . 6.8099999999999996 109.333 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.75 168.91 6.28 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 121.453 1.435 . . . . 5.1500000000000004 109.84 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -77.44 135.9 38.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 4.7000000000000002 109.099 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -80.55 121.29 25.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 2.48 110.166 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -71.2 148.8 44.78 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.252 -1.539 . . . . 1.0800000000000001 109.252 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.93 134.14 56.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.055 -1.261 . . . . 1.7 109.472 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 97.9 m-85 -109.99 145.22 37.35 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.427 -0.796 . . . . 1.04 109.457 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.27 138.71 43.77 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.345 -0.847 . . . . 0.65000000000000002 109.292 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.37 157.08 18.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 1.1399999999999999 109.027 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -146.77 127.04 13.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.14 -0.975 . . . . 1.0900000000000001 109.359 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -84.6 128.86 34.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.657 -0.868 . . . . 1.3700000000000001 108.657 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.04 119.99 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.385 -0.822 . . . . 1.1499999999999999 109.681 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -77.5 138.03 38.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.606 -0.684 . . . . 2.79 110.011 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.71 124.74 2.35 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 110.04 -1.224 . . . . 0.45000000000000001 110.04 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 17' ' ' ARG . 14.1 ttt-85 -66.42 -42.45 87.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -1.161 . . . . 3.1600000000000001 109.71 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.19 91.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 2.2200000000000002 108.643 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.477 -0.764 . . . . 3.54 108.998 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.94 -49.06 79.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.5 109.554 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.55 -39.27 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.304 -0.873 . . . . 1.6599999999999999 109.119 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -59.96 -51.85 67.93 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 1.1499999999999999 110.167 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -67.08 -39.74 86.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.34000000000000002 109.652 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -55.16 -41.78 72.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.2 -0.937 . . . . 2.9399999999999999 108.546 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -49.47 77.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.222 -1.029 . . . . 1.74 108.222 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.4 -44.86 93.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.415 -0.803 . . . . 1.0700000000000001 109.536 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 1.22 109.474 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.463 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.9 tt0 -60.2 -39.94 88.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.369 -0.832 . . . . 1.72 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -46.62 88.37 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 109.253 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.72 -41.21 97.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.202 -0.936 . . . . 1.0800000000000001 109.159 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.09 -42.5 94.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.2 -46.57 89.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 1.1499999999999999 108.793 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.505 -0.747 . . . . 2.1400000000000001 109.446 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.03 -40.05 83.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 1.4299999999999999 108.884 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.31 77.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.215 -0.928 . . . . 1.3 108.945 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -73.76 -24.14 59.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -0.831 . . . . 1.4199999999999999 109.239 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.53 -9.54 49.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 1.5800000000000001 109.389 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 7.26 54.63 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.305 -1.518 . . . . 1.54 109.305 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -83.81 129.7 34.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -1.083 . . . . 4.5499999999999998 109.347 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -59.62 149.92 68.9 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 5.71 109.236 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -57.78 143.18 95.97 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 120.931 1.088 . . . . 6.0899999999999999 109.522 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 117.992 -1.449 . . . . 7.2400000000000002 109.741 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.305 -0.628 . . . . 7.6699999999999999 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 47.27 -117.23 0.79 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 7.46 109.777 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 48.91 65.46 7.07 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.177 -0.952 . . . . 6.79 109.359 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.7 168.92 6.2 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.275 1.317 . . . . 5.1500000000000004 109.824 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -77.44 135.8 38.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.315 -0.866 . . . . 4.6600000000000001 108.954 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.09 124.55 28.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.352 -0.842 . . . . 2.4700000000000002 109.795 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -75.03 148.91 38.6 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.987 -1.645 . . . . 1.0600000000000001 108.987 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.44 134.06 56.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.198 -1.178 . . . . 1.6100000000000001 109.453 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 97.9 m-85 -110.07 144.82 38.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.55 -0.719 . . . . 0.96999999999999997 109.332 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.04 138.52 43.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.34 -0.85 . . . . 0.59999999999999998 109.307 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.03 157.25 18.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.3 -0.875 . . . . 1.1000000000000001 109.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -146.69 127.39 14.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.145 -0.972 . . . . 1.1000000000000001 109.311 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.09 128.73 34.77 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.567 -0.901 . . . . 1.3600000000000001 108.567 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.0 120.06 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.46 -0.775 . . . . 1.1699999999999999 109.745 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -77.44 138.12 39.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.62 -0.675 . . . . 2.79 110.054 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.64 125.43 2.46 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.905 -1.278 . . . . 0.47999999999999998 109.905 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' B' ' 17' ' ' ARG . 14.2 ttt-85 -67.64 -41.73 83.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -1.165 . . . . 3.2200000000000002 109.604 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.99 -41.39 91.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.988 -1.07 . . . . 2.21 108.632 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.46 -39.93 89.36 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.486 -0.759 . . . . 3.5499999999999998 109.098 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -0.806 . . . . 0.52000000000000002 109.43 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.1 -39.31 78.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.192 -0.942 . . . . 1.6799999999999999 109.266 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 64.5 ttp -60.05 -51.59 68.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.244 -0.91 . . . . 1.1499999999999999 110.023 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -67.33 -40.0 85.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.05 -1.031 . . . . 0.33000000000000002 109.762 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.79 -41.76 70.95 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.473 -0.936 . . . . 3.02 108.473 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -59.95 -49.88 75.95 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.284 -1.006 . . . . 1.75 108.284 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.32 -44.71 94.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.474 -0.766 . . . . 1.0700000000000001 109.481 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -60.05 -49.13 78.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 1.21 109.359 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -40.02 88.11 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 1.6899999999999999 109.246 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -46.64 88.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.296 -0.877 . . . . 1.0600000000000001 109.334 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.91 -41.33 97.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.093 -1.004 . . . . 1.0800000000000001 109.256 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -59.99 -42.23 93.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 1.9299999999999999 109.267 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.21 -46.41 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.309 -0.87 . . . . 1.1399999999999999 108.785 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.463 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 36.3 ttmt -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.478 -0.764 . . . . 2.1899999999999999 109.474 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.99 -39.93 83.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.876 . . . . 1.4299999999999999 108.933 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.24 77.16 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.244 -0.91 . . . . 1.3100000000000001 108.94 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -73.96 -24.92 59.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.3999999999999999 109.313 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.03 -9.37 45.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 1.5700000000000001 109.334 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 6.52 56.77 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 1.53 109.277 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -83.63 129.67 34.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -1.072 . . . . 4.5800000000000001 109.4 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.71 149.82 70.05 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 5.6799999999999997 109.23 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -57.47 143.54 94.1 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.93 1.086 . . . . 6.0499999999999998 109.711 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.973 -1.459 . . . . 7.2000000000000002 109.549 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.405 -0.591 . . . . 9.2200000000000006 109.405 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 48.38 -117.57 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.216 -0.927 . . . . 8.5099999999999998 109.719 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 48.82 65.58 6.9 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 7.4199999999999999 109.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.54 168.13 7.16 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 121.424 1.416 . . . . 5.0499999999999998 109.829 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.12 136.5 38.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.941 . . . . 5.1399999999999997 108.953 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.61 121.96 26.48 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.345 -0.847 . . . . 2.8500000000000001 110.105 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . 0.457 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -72.18 149.27 43.88 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.261 -1.536 . . . . 1.27 109.261 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.94 133.87 56.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.073 -1.251 . . . . 2.1099999999999999 109.396 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 97.8 m-85 -110.07 144.77 38.17 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.359 -0.838 . . . . 1.01 109.397 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.18 138.53 43.75 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.57999999999999996 109.321 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -88.1 156.77 19.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.354 -0.841 . . . . 1.1599999999999999 109.041 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -146.23 128.02 15.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.255 -0.903 . . . . 1.1699999999999999 109.15 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.63 128.69 34.84 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.574 -0.899 . . . . 1.8100000000000001 108.574 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -119.94 120.07 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.396 -0.815 . . . . 1.1299999999999999 109.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -77.16 138.07 39.26 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.611 -0.681 . . . . 2.8199999999999998 109.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.81 125.26 2.48 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 110.059 -1.217 . . . . 0.45000000000000001 110.059 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' C' ' 17' ' ' ARG . 14.9 ttt-85 -67.2 -42.11 84.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -1.145 . . . . 3.0800000000000001 109.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.11 -41.35 92.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 2.54 108.629 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.5 -39.97 89.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.991 -0.744 . . . . 4.1100000000000003 108.991 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -60.0 -48.71 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.493 -0.754 . . . . 0.56999999999999995 109.529 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.57 -39.43 80.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.188 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 64.8 ttp -59.97 -52.01 67.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.333 -0.854 . . . . 1.29 110.168 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.89 -39.53 87.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.104 -0.998 . . . . 0.40000000000000002 109.637 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -55.33 -41.88 73.06 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.205 -0.935 . . . . 3.8500000000000001 108.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' D' ' 33' ' ' LYS . 54.2 tp10 -59.99 -49.31 78.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.28 -1.007 . . . . 1.78 108.28 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.57 -44.74 93.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.43 -0.794 . . . . 1.1699999999999999 109.622 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.03 -49.34 78.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 1.2 109.313 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.211 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.67 88.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 1.0700000000000001 109.195 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.64 -41.49 97.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.158 -0.963 . . . . 1.1399999999999999 109.197 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.16 -42.01 94.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 2.0899999999999999 109.431 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.56 -46.37 90.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.231 -0.918 . . . . 1.3799999999999999 108.66 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.11 -39.96 87.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.516 -0.74 . . . . 2.6800000000000002 109.43 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.16 -40.07 84.43 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.263 -0.898 . . . . 1.3400000000000001 108.926 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.66 77.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.238 -0.914 . . . . 1.3 109.001 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -73.99 -23.93 59.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 1.8 109.328 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.84 -8.99 48.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.111 -0.993 . . . . 1.47 109.375 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.81 6.82 57.64 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.247 -1.541 . . . . 1.6599999999999999 109.247 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.65 129.38 34.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -1.121 . . . . 4.7800000000000002 109.521 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -59.5 149.76 68.65 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.357 -0.839 . . . . 6.1900000000000004 109.206 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.73 142.99 96.18 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 120.987 1.125 . . . . 6.1799999999999997 109.659 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.996 -1.447 . . . . 6.9000000000000004 109.619 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.291 -0.633 . . . . 7.6900000000000004 109.291 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 47.54 -117.34 0.82 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.153 -0.967 . . . . 7.4500000000000002 109.757 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 49.0 tttp 48.97 65.62 6.85 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 6.8399999999999999 109.369 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.66 168.32 7.05 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.368 1.379 . . . . 5.1200000000000001 109.761 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -77.3 136.54 38.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.202 -0.936 . . . . 4.6600000000000001 108.904 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.67 122.64 27.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.362 -0.836 . . . . 2.46 110.015 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -72.53 149.36 43.44 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.216 -1.554 . . . . 1.0800000000000001 109.216 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.87 134.07 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -1.232 . . . . 1.6699999999999999 109.535 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.434 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 98.0 m-85 -110.0 145.13 37.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.465 -0.772 . . . . 1.01 109.464 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.36 138.48 43.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.372 -0.83 . . . . 0.63 109.355 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -88.37 156.92 18.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.835 . . . . 1.1299999999999999 109.101 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -146.34 127.92 15.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.937 . . . . 1.1000000000000001 109.15 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.6 128.71 34.84 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.523 -0.917 . . . . 1.3700000000000001 108.523 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.03 119.97 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.335 -0.853 . . . . 1.1499999999999999 109.598 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -77.0 138.12 39.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 2.77 110.01 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.65 124.79 2.34 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.106 -1.198 . . . . 0.42999999999999999 110.106 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' D' ' 17' ' ' ARG . 13.6 ttt-85 -66.68 -42.32 86.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -1.151 . . . . 3.1200000000000001 109.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.45 92.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.013 -1.054 . . . . 2.2200000000000002 108.596 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.42 -40.05 89.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.413 -0.804 . . . . 3.5 109.119 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.0 -49.38 77.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.334 -0.854 . . . . 0.5 109.384 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.1 -39.24 78.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 1.6899999999999999 109.203 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.04 -51.54 69.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.32 -0.862 . . . . 1.1399999999999999 110.154 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -67.15 -40.09 86.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.32000000000000001 109.689 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.81 -41.91 71.22 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.209 -0.932 . . . . 2.96 108.52 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -59.96 -49.63 76.93 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.245 -1.021 . . . . 1.75 108.245 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.51 -44.47 94.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 1.0800000000000001 109.537 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.03 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 1.22 109.435 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -40.09 89.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.493 -0.754 . . . . 1.73 109.313 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.74 88.05 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 1.0700000000000001 109.195 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.67 -41.33 97.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 1.1100000000000001 109.231 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.98 -42.06 93.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.335 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.63 -46.43 90.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 1.1699999999999999 108.582 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' C' ' 25' ' ' GLU . 36.3 ttmt -60.04 -39.85 87.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.592 -0.693 . . . . 2.1499999999999999 109.443 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.3 -39.92 84.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 1.4399999999999999 108.974 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.92 76.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.169 -0.957 . . . . 1.3 108.899 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.91 -24.37 59.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.3999999999999999 109.281 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.72 -9.38 50.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 1.6000000000000001 109.466 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.3 6.81 56.09 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.279 -1.528 . . . . 1.5 109.279 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -83.71 129.72 34.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -1.109 . . . . 4.5499999999999998 109.48 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -60.0 149.4 74.15 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.388 -0.82 . . . . 5.6699999999999999 109.382 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -57.33 143.33 94.15 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 120.975 1.117 . . . . 6.1200000000000001 109.72 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.45 -1.46 . . . . 7.2699999999999996 109.45 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 3' ' ' LYS . 58.6 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.274 -0.639 . . . . 7.6600000000000001 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 64.49 -47.81 0.31 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.878 -0.514 . . . . 7.5099999999999998 110.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 1' ' ' LYS . 82.4 mttt 48.61 67.68 4.27 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 120.859 -1.151 . . . . 6.8099999999999996 109.945 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.1 138.69 68.73 Favored 'Trans proline' 0 C--N 1.316 -1.149 0 C-N-CA 121.322 1.348 . . . . 5.1500000000000004 109.779 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -78.92 143.52 35.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 4.7000000000000002 109.666 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.76 -7.21 59.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 2.48 109.713 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.42 122.38 17.77 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.555 -1.418 . . . . 1.0800000000000001 109.555 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.74 139.9 58.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.449 -1.03 . . . . 1.7 109.889 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.59 145.84 24.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.346 -0.847 . . . . 1.04 108.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.98 141.73 47.39 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.22 -0.925 . . . . 0.65000000000000002 109.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.7 p -89.23 156.42 18.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.877 . . . . 1.1399999999999999 108.776 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -147.09 130.91 17.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.082 -1.011 . . . . 1.0900000000000001 109.22 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.74 127.89 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 1.3700000000000001 109.606 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.97 119.94 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.521 -0.737 . . . . 1.1499999999999999 109.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.8 145.98 38.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.376 -0.827 . . . . 2.79 110.435 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 125.52 0.63 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.427 -1.069 . . . . 0.45000000000000001 110.427 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.46 -40.01 89.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -1.071 . . . . 3.1600000000000001 109.116 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.0 -40.96 91.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.09 -1.007 . . . . 2.2200000000000002 109.048 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.87 -39.96 93.71 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.639 -0.874 . . . . 3.54 108.639 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.06 -45.61 92.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.366 -0.834 . . . . 0.5 109.213 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -41.8 92.82 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 108.615 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 ttp -62.09 -49.94 73.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.38 -0.825 . . . . 1.1499999999999999 109.08 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.5 -39.97 92.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.433 -0.792 . . . . 0.34000000000000002 109.075 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -54.52 -47.41 73.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 2.9399999999999999 108.797 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.72 88.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 1.74 108.883 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.68 -45.55 92.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 1.0700000000000001 109.121 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.04 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.811 . . . . 1.22 109.642 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.75 -39.95 95.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.369 -0.832 . . . . 1.72 109.534 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.96 75.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.0700000000000001 109.669 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.28 -41.69 98.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.112 -0.993 . . . . 1.0800000000000001 109.613 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.15 -40.83 95.34 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.07 -1.019 . . . . 1.9099999999999999 109.045 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.26 -46.52 89.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.324 -0.86 . . . . 1.1499999999999999 108.856 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -59.98 -40.04 87.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.417 -0.802 . . . . 2.1400000000000001 109.386 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.97 -39.91 87.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.342 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.66 76.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.151 -0.968 . . . . 1.3 109.32 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -72.94 -28.6 62.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 1.4199999999999999 109.442 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -66.99 -20.25 65.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 1.5800000000000001 109.449 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.93 32.03 0.91 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.354 -1.499 . . . . 1.54 109.354 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.533 ' H ' ' C ' ' A' ' 37' ' ' ALA . 88.4 tttt -83.71 131.44 34.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -1.075 . . . . 4.5499999999999998 109.655 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.36 149.74 57.85 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 5.71 108.957 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.19 153.14 28.02 Favored 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 120.862 1.041 . . . . 6.0899999999999999 109.736 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.384 -1.486 . . . . 7.2400000000000002 109.384 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' B' ' 3' ' ' LYS . 59.1 mttp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.785 -0.45 . . . . 7.6699999999999999 109.785 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 64.26 -49.12 0.29 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.849 -0.532 . . . . 7.46 110.108 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 1' ' ' LYS . 81.8 mttt 49.33 67.57 4.35 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.954 -1.091 . . . . 6.79 109.868 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.59 139.17 74.29 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.457 1.438 . . . . 5.1500000000000004 109.757 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -78.8 144.19 35.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.178 -0.951 . . . . 4.6600000000000001 109.61 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -82.11 -9.27 59.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.245 -0.909 . . . . 2.4700000000000002 109.54 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.93 122.89 25.3 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.55 -1.42 . . . . 1.0600000000000001 109.55 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.79 139.99 58.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -1.073 . . . . 1.6100000000000001 109.962 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -95.35 145.58 25.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.287 -0.883 . . . . 0.96999999999999997 109.169 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.91 141.14 47.22 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.38 -0.825 . . . . 0.59999999999999998 109.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -88.77 156.11 19.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.367 -0.833 . . . . 1.1000000000000001 108.833 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -146.61 131.5 18.1 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.995 -1.065 . . . . 1.1000000000000001 109.363 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.31 128.01 34.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.3600000000000001 109.438 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.03 121.05 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.526 -0.734 . . . . 1.1699999999999999 109.345 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -77.88 145.77 36.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 2.79 110.58 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 125.86 0.68 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.38 -1.088 . . . . 0.47999999999999998 110.38 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.57 -39.93 88.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -1.056 . . . . 3.2200000000000002 109.201 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.01 -40.87 90.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 2.21 109.079 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 44.0 ttm180 -61.98 -40.07 94.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.612 -0.885 . . . . 3.5499999999999998 108.612 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.332 -0.855 . . . . 0.52000000000000002 109.312 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.86 -41.43 91.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.192 -0.943 . . . . 1.6799999999999999 108.662 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.9 ttp -62.4 -49.95 73.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.401 -0.812 . . . . 1.1499999999999999 108.901 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.46 -40.01 92.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.455 -0.778 . . . . 0.33000000000000002 109.146 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.46 -47.31 73.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 3.02 108.865 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -46.9 87.98 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.349 -0.844 . . . . 1.75 108.936 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.59 -45.66 91.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.292 -0.88 . . . . 1.0700000000000001 109.051 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.97 -50.07 75.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.433 -0.792 . . . . 1.21 109.533 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.7 -40.0 95.78 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.612 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.83 76.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 1.0600000000000001 109.658 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.05 -42.31 99.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.098 -1.001 . . . . 1.0800000000000001 109.57 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.56 -40.59 92.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.083 -1.011 . . . . 1.9299999999999999 109.146 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.44 -46.62 89.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 1.1399999999999999 108.705 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.94 -40.02 87.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 2.1899999999999999 109.475 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.94 -40.09 87.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.872 . . . . 1.4299999999999999 109.489 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.21 77.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.286 -0.884 . . . . 1.3100000000000001 109.227 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -72.31 -29.03 63.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.263 -0.898 . . . . 1.3999999999999999 109.539 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -67.16 -20.14 65.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.949 . . . . 1.5700000000000001 109.498 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.9 31.81 0.9 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.342 -1.503 . . . . 1.53 109.342 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' B' ' 37' ' ' ALA . 88.3 tttt -83.29 132.04 35.05 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -1.152 . . . . 4.5800000000000001 109.618 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.71 149.95 60.55 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 108.971 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.11 152.34 30.91 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 120.866 1.044 . . . . 6.0499999999999998 109.693 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.335 -1.506 . . . . 7.2000000000000002 109.335 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' C' ' 3' ' ' LYS . 59.0 mttp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.539 -0.541 . . . . 9.2200000000000006 109.539 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.462 ' H ' ' H3 ' ' C' ' 1' ' ' LYS . 82.7 tttt 63.81 -49.22 0.26 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.039 0.447 . . . . 8.5099999999999998 110.082 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' C' ' 1' ' ' LYS . 82.5 mttt 49.77 67.71 4.17 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 7.4199999999999999 109.866 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.69 138.99 72.74 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 C-N-CA 121.367 1.378 . . . . 5.0499999999999998 109.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -78.74 143.83 35.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 5.1399999999999997 109.616 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -81.82 -8.27 59.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 2.8500000000000001 109.612 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.48 122.9 21.77 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.565 -1.414 . . . . 1.27 109.565 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.52 140.03 58.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -1.112 . . . . 2.1099999999999999 109.883 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.82 145.67 25.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.395 -0.815 . . . . 1.01 109.052 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -133.62 141.48 47.66 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.258 -0.901 . . . . 0.57999999999999996 110.034 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.2 p -88.71 155.5 19.55 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.776 -0.824 . . . . 1.1599999999999999 108.776 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.45 131.77 18.54 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 1.1699999999999999 109.252 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.61 127.98 34.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.325 -0.859 . . . . 1.8100000000000001 109.57 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.04 120.06 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.443 -0.785 . . . . 1.1299999999999999 109.551 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.99 146.17 37.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.347 -0.846 . . . . 2.8199999999999998 110.381 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.92 125.25 0.65 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.424 -1.07 . . . . 0.45000000000000001 110.424 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.33 -39.94 89.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.394 -1.062 . . . . 3.0800000000000001 109.144 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.02 -40.62 89.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 2.54 109.203 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.17 -40.02 94.59 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.174 -0.954 . . . . 4.1100000000000003 108.574 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.11 -45.56 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.371 -0.831 . . . . 0.56999999999999995 109.167 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.22 -0.925 . . . . 1.6599999999999999 108.668 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 31.3 ttp -62.06 -50.07 73.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.293 -0.879 . . . . 1.29 109.015 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.41 -0.807 . . . . 0.40000000000000002 109.116 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -54.4 -47.17 73.04 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.18 -0.95 . . . . 3.8500000000000001 108.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -46.95 87.86 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.373 -0.83 . . . . 1.78 108.913 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.69 -45.44 92.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 1.1699999999999999 109.017 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.08 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.422 -0.799 . . . . 1.2 109.466 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.64 -39.94 95.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.398 -0.814 . . . . 2.1200000000000001 109.674 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 1.0700000000000001 109.666 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -41.84 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.192 -0.942 . . . . 1.1399999999999999 109.628 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.25 -40.38 93.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.148 -0.97 . . . . 2.0899999999999999 109.031 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.39 -46.86 88.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 1.3799999999999999 108.759 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.455 -0.778 . . . . 2.6800000000000002 109.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.881 . . . . 1.3400000000000001 109.374 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.57 76.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.323 -0.861 . . . . 1.3 109.133 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.2 -27.69 61.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.363 -0.836 . . . . 1.8 109.489 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.526 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -67.83 -20.43 65.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 1.47 109.368 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.52 31.68 0.85 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.375 -1.49 . . . . 1.6599999999999999 109.375 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' C' ' 37' ' ' ALA . 88.3 tttt -83.17 131.61 35.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -1.145 . . . . 4.7800000000000002 109.764 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -58.44 149.58 59.59 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.316 -0.865 . . . . 6.1900000000000004 108.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 151.43 35.7 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 120.937 1.091 . . . . 6.1799999999999997 109.758 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.028 -1.429 . . . . 6.9000000000000004 109.648 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' D' ' 3' ' ' LYS . 59.0 mttp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.694 -0.484 . . . . 7.6900000000000004 109.694 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.452 ' H ' ' H3 ' ' D' ' 1' ' ' LYS . 82.4 tttt 64.58 -48.74 0.32 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.808 -0.558 . . . . 7.4500000000000002 110.184 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' D' ' 1' ' ' LYS . 82.3 mttt 48.94 68.02 3.94 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.106 -0.996 . . . . 6.8399999999999999 109.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.85 138.96 71.67 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.55 1.5 . . . . 5.1200000000000001 109.821 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.8 143.3 36.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 4.6600000000000001 109.753 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -81.43 -8.04 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.389 -0.819 . . . . 2.46 109.662 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.67 122.65 20.6 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.529 -1.429 . . . . 1.0800000000000001 109.529 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 140.04 58.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.407 -1.055 . . . . 1.6699999999999999 109.899 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.49 145.53 25.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.415 -0.803 . . . . 1.01 109.047 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.65 141.34 47.57 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.296 -0.877 . . . . 0.63 109.935 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.64 156.32 19.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.303 -0.873 . . . . 1.1299999999999999 108.76 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -147.05 131.21 17.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 1.1000000000000001 109.253 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -84.13 127.72 34.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 1.3700000000000001 109.648 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 119.99 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.506 -0.746 . . . . 1.1499999999999999 109.346 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.84 145.99 38.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.322 -0.861 . . . . 2.77 110.402 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 124.81 0.62 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.509 -1.036 . . . . 0.42999999999999999 110.509 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -66.0 -40.01 90.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -1.081 . . . . 3.1200000000000001 109.133 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.04 -40.58 89.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 2.2200000000000002 109.15 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -62.21 -39.98 94.58 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.195 -0.94 . . . . 3.5 108.534 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -45.41 93.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.366 -0.834 . . . . 0.5 109.291 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -42.02 93.37 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 108.571 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 29.8 ttp -62.09 -49.96 73.86 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.448 -0.782 . . . . 1.1399999999999999 109.042 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.32 -39.93 92.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.32000000000000001 109.242 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.56 -47.23 73.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 2.96 108.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.87 -47.2 86.72 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.35 -0.844 . . . . 1.75 108.96 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.73 -45.36 93.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 1.0800000000000001 108.979 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.98 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.386 -0.821 . . . . 1.22 109.464 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -62.86 -40.03 96.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.469 -0.769 . . . . 1.73 109.684 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.76 76.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.263 -0.898 . . . . 1.0700000000000001 109.757 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.23 -41.76 98.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.143 -0.973 . . . . 1.1100000000000001 109.63 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.7 -41.24 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.176 -0.953 . . . . 1.9099999999999999 109.094 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -46.4 89.68 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.744 -0.835 . . . . 1.1699999999999999 108.744 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -60.04 -39.97 87.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 2.1499999999999999 109.328 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.3 m-20 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.293 -0.879 . . . . 1.4399999999999999 109.584 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.32 75.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.242 -0.912 . . . . 1.3 109.321 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.19 -28.51 62.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 1.3999999999999999 109.422 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.519 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -67.35 -20.51 65.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.155 -0.966 . . . . 1.6000000000000001 109.417 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.64 31.92 0.86 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.452 -1.459 . . . . 1.5 109.452 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.519 ' H ' ' C ' ' D' ' 37' ' ' ALA . 88.3 tttt -83.46 132.76 34.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -1.14 . . . . 4.5499999999999998 109.669 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.93 149.29 74.01 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 5.6699999999999999 108.97 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -54.36 152.7 24.95 Favored 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 120.822 1.015 . . . . 6.1200000000000001 109.748 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 CA-C-O 117.987 -1.452 . . . . 7.2699999999999996 109.506 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.609 ' O ' ' N ' ' A' ' 3' ' ' LYS . 79.2 tttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.355 -0.609 . . . . 7.6600000000000001 109.355 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' LYS . 45.6 tttp 31.4 -82.8 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.061 0.458 . . . . 7.5099999999999998 111.217 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 1' ' ' LYS . 58.3 tttm 52.8 70.82 1.66 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 6.8099999999999996 109.305 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -63.51 139.07 68.51 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 C-N-CA 121.635 1.557 . . . . 5.1500000000000004 109.883 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.1 64.58 5.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 4.7000000000000002 109.426 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.37 -141.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.718 -0.845 . . . . 2.48 108.718 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 148.62 50.7 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.905 -1.678 . . . . 1.0800000000000001 108.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 40.9 mp0 -60.84 139.98 57.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 1.7 109.345 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -94.15 142.98 26.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.318 -0.864 . . . . 1.04 109.594 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.08 139.57 43.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.448 -0.783 . . . . 0.65000000000000002 109.586 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -89.71 152.73 21.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 1.1399999999999999 108.799 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -147.64 130.18 15.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.987 -1.071 . . . . 1.0900000000000001 109.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.6 129.27 34.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 108.732 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.86 120.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.382 -0.824 . . . . 1.1499999999999999 110.007 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -78.22 141.85 38.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 2.79 110.388 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.27 126.16 2.17 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.53 -1.028 . . . . 0.45000000000000001 110.53 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -66.97 -39.97 87.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.449 -1.03 . . . . 3.1600000000000001 109.429 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.67 91.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.44 -0.948 . . . . 2.2200000000000002 108.44 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.3 -42.37 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.429 -0.794 . . . . 3.54 108.911 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.97 -49.87 75.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.5 109.105 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.02 -41.63 92.62 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.171 -0.955 . . . . 1.6599999999999999 108.596 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 62.9 ttp -63.32 -50.0 71.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.441 -0.787 . . . . 1.1499999999999999 109.432 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.73 -41.82 99.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.427 -0.796 . . . . 0.34000000000000002 109.21 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.78 -43.72 90.5 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.318 -0.864 . . . . 2.9399999999999999 109.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.96 -47.55 85.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 1.74 109.446 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.16 -42.57 99.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.614 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.15 -0.969 . . . . 1.22 109.141 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.22 -40.05 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 1.72 109.702 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.58 81.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -0.902 . . . . 1.0700000000000001 109.617 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.43 -43.37 98.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 1.0800000000000001 109.062 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -42.06 94.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.193 -0.942 . . . . 1.9099999999999999 108.878 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -49.15 78.79 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.749 -0.834 . . . . 1.1499999999999999 108.749 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.96 -38.99 84.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 2.1400000000000001 109.286 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.83 -39.98 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.858 . . . . 1.4299999999999999 109.204 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 1.3 108.486 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.5 -37.52 68.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.43 -0.794 . . . . 1.4199999999999999 108.905 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -69.3 -6.46 29.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 1.5800000000000001 109.952 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.74 6.28 5.07 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.249 -1.54 . . . . 1.54 109.249 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 37' ' ' ALA . 28.2 tptp -85.52 141.23 30.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -1.098 . . . . 4.5499999999999998 109.299 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.0 149.4 55.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.252 -0.905 . . . . 5.71 108.931 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -54.93 157.26 13.46 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.003 1.135 . . . . 6.0899999999999999 109.709 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.332 -1.507 . . . . 7.2400000000000002 109.332 179.837 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' B' ' 3' ' ' LYS . 79.3 tttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.346 -0.613 . . . . 7.6699999999999999 109.346 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 1' ' ' LYS . 45.5 tttp 31.62 -82.47 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 CA-C-O 121.128 0.49 . . . . 7.46 111.274 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' B' ' 1' ' ' LYS . 58.0 tttm 52.51 71.22 1.52 Allowed Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.066 -1.021 . . . . 6.79 109.426 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 138.66 64.04 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 C-N-CA 121.626 1.55 . . . . 5.1500000000000004 110.022 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 84.0 mt -80.93 65.33 6.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.333 -0.855 . . . . 4.6600000000000001 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -80.62 -143.64 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.275 -1.009 . . . . 2.4700000000000002 108.275 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 148.01 50.84 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.296 -1.522 . . . . 1.0600000000000001 109.296 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 39.8 mp0 -60.31 140.01 57.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -1.16 . . . . 1.6100000000000001 109.49 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.96 144.04 25.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.96999999999999997 109.575 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -137.35 139.26 40.7 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.355 -0.841 . . . . 0.59999999999999998 109.561 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -89.32 152.97 21.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.309 -0.869 . . . . 1.1000000000000001 108.964 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 tp -147.8 130.62 16.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.119 -0.988 . . . . 1.1000000000000001 109.374 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.96 129.37 34.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 108.781 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.81 120.01 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.452 -0.78 . . . . 1.1699999999999999 110.015 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.45 142.63 37.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.397 -0.815 . . . . 2.79 110.206 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 125.4 1.84 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.629 -0.988 . . . . 0.47999999999999998 110.629 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.43 -39.9 89.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -1.077 . . . . 3.2200000000000002 109.379 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -45.23 93.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.133 -0.979 . . . . 2.21 108.502 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.66 -42.39 96.93 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.809 -0.811 . . . . 3.5499999999999998 108.809 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.01 -49.72 76.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.52000000000000002 109.228 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.93 -41.62 92.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.095 -1.003 . . . . 1.6799999999999999 108.481 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.42 -50.01 71.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.33 -0.856 . . . . 1.1499999999999999 109.5 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.98 -40.94 99.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.33000000000000002 109.128 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -59.3 -44.07 92.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.316 -0.865 . . . . 3.02 109.001 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -47.3 86.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 1.75 109.573 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.21 -42.46 99.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.105 -0.997 . . . . 1.0700000000000001 109.522 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 1.21 109.217 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.39 -39.97 94.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.545 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -49.09 79.03 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.912 . . . . 1.0600000000000001 109.606 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 1.0800000000000001 108.955 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -42.07 93.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 108.877 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 -49.14 78.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 1.1399999999999999 108.861 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -60.01 -38.92 84.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.765 . . . . 2.1899999999999999 109.252 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.6 m-20 -58.62 -40.01 82.11 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.319 -0.863 . . . . 1.4299999999999999 109.329 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.99 96.07 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.083 -1.011 . . . . 1.3100000000000001 108.647 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.37 -37.82 68.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.374 -0.829 . . . . 1.3999999999999999 108.793 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -68.94 -6.44 27.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 1.5700000000000001 109.874 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.24 5.03 5.49 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.21 -1.556 . . . . 1.53 109.21 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' B' ' 37' ' ' ALA . 28.1 tptp -84.53 141.26 30.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -1.087 . . . . 4.5800000000000001 109.467 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.0 149.61 54.75 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 5.6799999999999997 108.878 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.22 156.54 16.37 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 120.968 1.112 . . . . 6.0499999999999998 109.933 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.5 -1.44 . . . . 7.2000000000000002 109.5 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' C' ' 3' ' ' LYS . 79.6 tttt . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.226 -0.657 . . . . 9.2200000000000006 109.226 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' C' ' 1' ' ' LYS . 45.7 tttp 31.38 -83.86 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 120.99 0.424 . . . . 8.5099999999999998 111.016 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' C' ' 1' ' ' LYS . 58.0 tttm 54.08 70.7 1.6 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.084 -1.01 . . . . 7.4199999999999999 109.244 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.74 138.43 63.84 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.623 1.549 . . . . 5.0499999999999998 109.917 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.59 65.51 5.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.281 -0.887 . . . . 5.1399999999999997 109.344 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.65 -141.34 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 2.8500000000000001 108.584 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.48 147.62 49.99 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.977 -1.649 . . . . 1.27 108.977 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 39.9 mp0 -60.0 139.98 57.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.154 -1.204 . . . . 2.1099999999999999 109.611 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.01 143.35 26.43 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.444 -0.785 . . . . 1.01 109.632 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -137.08 139.42 41.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.499 -0.751 . . . . 0.57999999999999996 109.471 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -89.19 153.16 21.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.35 -0.844 . . . . 1.1599999999999999 109.041 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -148.15 130.03 15.24 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.02 -1.05 . . . . 1.1699999999999999 109.417 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.45 129.28 34.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.86 . . . . 1.8100000000000001 108.785 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.76 120.04 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.516 -0.74 . . . . 1.1299999999999999 110.12 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.18 37.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.401 -0.812 . . . . 2.8199999999999998 110.274 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.1 126.18 2.12 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.562 -1.015 . . . . 0.45000000000000001 110.562 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -66.83 -40.08 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 3.0800000000000001 109.278 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.74 91.76 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.6 -0.889 . . . . 2.54 108.6 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.06 -42.48 94.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.823 -0.806 . . . . 4.1100000000000003 108.823 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.01 -49.94 75.68 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.251 -0.906 . . . . 0.56999999999999995 109.132 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -42.03 93.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.128 -0.982 . . . . 1.6599999999999999 108.368 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.6 ttp -62.72 -50.09 72.47 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.478 -0.764 . . . . 1.29 109.574 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.03 -40.81 98.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.40000000000000002 109.238 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -59.32 -44.03 92.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.301 -0.874 . . . . 3.8500000000000001 109.033 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.35 86.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.407 -0.808 . . . . 1.78 109.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.33 -42.13 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 1.1699999999999999 109.508 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 1.2 109.103 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.36 -40.05 95.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.469 -0.77 . . . . 2.1200000000000001 109.669 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -49.84 76.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 109.423 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.28 -43.72 95.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 1.1399999999999999 109.104 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -41.62 92.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.136 -0.977 . . . . 2.0899999999999999 108.858 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.21 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.398 -0.814 . . . . 1.3799999999999999 108.915 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.94 -38.9 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 2.6800000000000002 109.274 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.8 -39.96 82.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 1.3400000000000001 109.114 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.14 96.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.105 -0.997 . . . . 1.3 108.573 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -72.64 -37.54 67.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 1.8 108.851 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -68.86 -7.06 31.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.442 -0.786 . . . . 1.47 109.786 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 5.01 5.03 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.353 -1.499 . . . . 1.6599999999999999 109.353 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' C' ' 37' ' ' ALA . 28.2 tptp -84.55 140.85 31.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -1.118 . . . . 4.7800000000000002 109.476 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.68 149.75 50.49 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 6.1900000000000004 108.885 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.11 157.14 14.28 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 120.942 1.094 . . . . 6.1799999999999997 109.835 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.956 -1.469 . . . . 6.9000000000000004 109.492 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.613 ' O ' ' N ' ' D' ' 3' ' ' LYS . 79.4 tttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.678 -0.49 . . . . 7.6900000000000004 109.678 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' D' ' 1' ' ' LYS . 45.5 tttp 35.67 -83.08 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 120.919 0.39 . . . . 7.4500000000000002 110.807 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' D' ' 1' ' ' LYS . 59.0 tttm 52.54 70.58 1.8 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.059 . . . . 6.8399999999999999 109.426 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.46 138.67 66.62 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 C-N-CA 121.651 1.567 . . . . 5.1200000000000001 109.91 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.0 65.28 6.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 4.6600000000000001 109.428 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -80.35 -141.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.627 -0.879 . . . . 2.46 108.627 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.84 148.0 50.73 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.136 -1.586 . . . . 1.0800000000000001 109.136 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 39.5 mp0 -60.39 140.02 57.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.181 -1.188 . . . . 1.6699999999999999 109.385 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.06 143.58 26.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 1.01 109.475 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -137.01 139.87 41.71 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.399 -0.813 . . . . 0.63 109.544 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.74 152.98 21.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 1.1299999999999999 109.017 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.09 130.65 15.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.05 . . . . 1.1000000000000001 109.492 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.91 129.49 34.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 1.3700000000000001 108.676 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.98 119.99 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.404 -0.81 . . . . 1.1499999999999999 109.971 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.99 37.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.77 110.162 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.24 125.67 1.79 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.654 -0.978 . . . . 0.42999999999999999 110.654 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -66.52 -40.02 88.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.415 -1.05 . . . . 3.1200000000000001 109.426 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -45.51 92.47 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 2.2200000000000002 108.475 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.404 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -60.43 -42.5 96.17 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.44 -0.787 . . . . 3.5 108.928 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.97 -49.59 77.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.16 -0.963 . . . . 0.5 109.119 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -42.34 93.56 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.414 -0.958 . . . . 1.6899999999999999 108.414 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -62.67 -49.93 73.19 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.547 -0.721 . . . . 1.1399999999999999 109.652 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.23 -40.72 98.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.32000000000000001 109.125 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.48 -43.87 93.18 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.247 -0.908 . . . . 2.96 109.066 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.07 -47.35 86.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.399 -0.813 . . . . 1.75 109.351 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -42.29 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 1.0800000000000001 109.684 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.0 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.147 -0.971 . . . . 1.22 109.216 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.57 -39.97 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.506 -0.746 . . . . 1.73 109.647 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.58 -49.79 76.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.276 -0.89 . . . . 1.0700000000000001 109.333 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.28 -43.85 95.85 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.161 -0.962 . . . . 1.1100000000000001 109.163 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.96 -41.96 93.06 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 1.9099999999999999 108.874 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -49.07 79.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.304 -0.873 . . . . 1.1699999999999999 108.82 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.94 -39.11 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.459 -0.776 . . . . 2.1499999999999999 109.232 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.92 -40.0 83.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.391 -0.818 . . . . 1.4399999999999999 109.316 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.1 96.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 1.3 108.357 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.44 -37.93 68.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.887 -0.783 . . . . 1.3999999999999999 108.887 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -68.86 -7.09 31.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.368 -0.832 . . . . 1.6000000000000001 109.716 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.27 4.04 5.22 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.37 -1.492 . . . . 1.5 109.37 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' D' ' 37' ' ' ALA . 28.1 tptp -83.66 142.95 30.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -1.137 . . . . 4.5499999999999998 109.359 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -60.06 149.03 76.11 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 5.6699999999999999 108.911 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -54.37 156.81 12.93 Favored 'Trans proline' 0 C--N 1.324 -0.715 0 C-N-CA 120.991 1.127 . . . . 6.1200000000000001 109.788 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.011 -1.439 . . . . 7.2699999999999996 109.682 -179.875 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 56.9 tttp . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.969 -0.752 . . . . 7.6600000000000001 108.969 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 76.7 tttt 97.0 -5.08 0.06 Allowed 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 123.179 0.592 . . . . 7.5099999999999998 109.872 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.4 mttt 43.77 67.81 3.53 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 6.8099999999999996 110.41 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.38 29.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.45 1.434 . . . . 5.1500000000000004 110.684 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' A' ' 3' ' ' LYS . 74.8 mt -82.2 119.95 24.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.876 -1.14 . . . . 4.7000000000000002 108.917 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -79.82 152.03 29.96 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.18 -0.95 . . . . 2.48 109.674 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.68 146.48 45.33 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.488 -1.445 . . . . 1.0800000000000001 109.488 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.73 139.98 57.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -1.121 . . . . 1.7 109.541 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.28 147.57 30.08 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.441 -0.787 . . . . 1.04 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -134.7 137.31 43.43 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.325 -0.859 . . . . 0.65000000000000002 109.696 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -89.72 154.12 20.18 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.601 -0.889 . . . . 1.1399999999999999 108.601 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.12 132.99 18.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.925 -1.11 . . . . 1.0900000000000001 109.224 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.6 tt0 -84.23 128.8 34.8 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.272 -1.01 . . . . 1.3700000000000001 108.272 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.94 120.06 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.31 -0.869 . . . . 1.1499999999999999 109.468 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.09 148.52 36.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.492 -0.755 . . . . 2.79 110.028 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.35 125.21 0.71 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.65 -0.98 . . . . 0.45000000000000001 110.65 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.74 -41.19 88.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -1.118 . . . . 3.1600000000000001 109.135 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.1 -42.06 93.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 2.2200000000000002 109.148 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.4 ttm180 -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.287 -0.883 . . . . 3.54 109.072 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.94 -49.5 77.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.437 -0.79 . . . . 0.5 109.057 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.03 -40.89 90.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.6599999999999999 108.597 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.4 ttp -62.93 -49.26 75.47 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.423 -0.798 . . . . 1.1499999999999999 108.993 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.51 -40.09 95.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.854 . . . . 0.34000000000000002 108.924 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.11 -44.6 91.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.293 -0.879 . . . . 2.9399999999999999 109.115 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.09 83.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.192 -0.943 . . . . 1.74 109.059 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.51 -44.64 96.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 1.0700000000000001 108.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.261 -0.899 . . . . 1.22 109.254 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.11 -41.06 96.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.206 -0.934 . . . . 1.72 109.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.93 75.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 1.0700000000000001 109.658 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.8 -41.69 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.359 -0.838 . . . . 1.0800000000000001 109.525 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.04 -40.86 90.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -0.982 . . . . 1.9099999999999999 109.283 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.07 -48.85 79.99 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.266 -0.896 . . . . 1.1499999999999999 109.083 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.356 -0.84 . . . . 2.1400000000000001 109.422 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.56 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 99.2 m-20 -59.67 -39.17 83.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -0.789 . . . . 1.4299999999999999 109.593 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.74 86.76 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.274 -0.891 . . . . 1.3 108.889 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -80.0 -12.92 59.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.114 -0.991 . . . . 1.4199999999999999 109.523 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.87 -11.99 60.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.241 -0.912 . . . . 1.5800000000000001 109.368 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.14 -3.26 89.57 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.618 -1.393 . . . . 1.54 109.618 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -84.69 138.78 32.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.166 -1.197 . . . . 4.5499999999999998 109.126 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.01 148.53 60.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.289 -0.882 . . . . 5.71 109.419 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.13 166.67 3.01 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.053 1.169 . . . . 6.0899999999999999 109.488 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.936 -1.48 . . . . 7.2400000000000002 109.596 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' B' ' 2' ' ' LYS . 56.4 tttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.644 -0.873 . . . . 7.6699999999999999 108.644 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 1' ' ' LYS . 76.4 tttt 96.25 -5.28 0.07 Allowed 'General case' 0 N--CA 1.508 2.46 0 C-N-CA 123.041 0.536 . . . . 7.46 109.935 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' B' ' 5' ' ' LEU . 89.0 mttt 43.65 67.85 3.47 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 120.958 -1.089 . . . . 6.79 110.445 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.16 28.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 121.459 1.439 . . . . 5.1500000000000004 110.817 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.562 ' H ' ' C ' ' B' ' 3' ' ' LYS . 75.4 mt -81.95 119.83 24.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.792 -1.193 . . . . 4.6600000000000001 109.017 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -79.74 153.01 29.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 2.4700000000000002 109.604 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.49 146.51 44.02 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.413 -1.475 . . . . 1.0600000000000001 109.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.51 139.95 57.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -1.122 . . . . 1.6100000000000001 109.523 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . 0.415 ' CB ' HE21 ' D' ' 13' ' ' GLN . 95.7 m-85 -107.61 147.12 31.06 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.602 -0.686 . . . . 0.96999999999999997 109.174 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -134.65 137.28 43.48 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.263 -0.898 . . . . 0.59999999999999998 109.967 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -89.66 153.58 20.62 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.641 -0.874 . . . . 1.1000000000000001 108.641 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.92 132.58 17.85 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.036 -1.04 . . . . 1.1000000000000001 109.515 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -83.63 129.04 34.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 1.3600000000000001 108.509 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.02 120.0 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.41 -0.806 . . . . 1.1699999999999999 109.419 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.11 149.04 35.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.432 -0.792 . . . . 2.79 110.008 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 125.41 0.65 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.65 -0.98 . . . . 0.47999999999999998 110.65 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.75 -41.21 88.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -1.079 . . . . 3.2200000000000002 109.129 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 2.21 109.202 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.7 ttm180 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.331 -0.856 . . . . 3.5499999999999998 108.972 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.93 -49.62 76.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.536 -0.728 . . . . 0.52000000000000002 109.05 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.91 -41.39 91.59 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 1.6799999999999999 108.34 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.47 -0.769 . . . . 1.1499999999999999 109.105 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.27 -39.99 94.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.42 -0.8 . . . . 0.33000000000000002 108.979 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.11 -44.44 91.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 3.02 109.092 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.29 82.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.253 -0.904 . . . . 1.75 108.996 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.53 -44.42 97.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.188 -0.945 . . . . 1.0700000000000001 109.054 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.239 -0.913 . . . . 1.21 109.032 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.95 -41.28 96.01 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.313 -0.867 . . . . 1.6899999999999999 109.453 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 1.0600000000000001 109.754 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 1.0800000000000001 109.509 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.2 -40.6 90.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.378 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.25 -48.88 79.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.343 -0.848 . . . . 1.1399999999999999 109.104 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.401 -0.812 . . . . 2.1899999999999999 109.356 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.5 m-20 -59.65 -39.07 83.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 1.4299999999999999 109.431 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.331 -0.855 . . . . 1.3100000000000001 109.173 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -79.93 -13.22 59.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.3999999999999999 109.442 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.0 -10.73 59.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 1.5700000000000001 109.491 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.19 90.71 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.502 -1.439 . . . . 1.53 109.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -84.59 138.56 32.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.217 -1.167 . . . . 4.5800000000000001 109.19 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.05 148.23 61.67 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 5.6799999999999997 109.391 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.08 165.76 3.73 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 120.962 1.108 . . . . 6.0499999999999998 109.551 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 118.028 -1.429 . . . . 7.2000000000000002 109.775 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 60.3 tttp . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.198 0.523 . . . . 9.2200000000000006 109.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.417 ' H ' ' H ' ' C' ' 3' ' ' LYS . 85.7 tttt 172.01 -4.8 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 105.447 -2.057 . . . . 8.5099999999999998 105.447 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.592 ' C ' ' H ' ' C' ' 5' ' ' LEU . 91.8 mttt 49.7 63.84 9.52 Favored Pre-proline 0 N--CA 1.486 1.331 0 CA-C-N 115.567 -0.742 . . . . 7.4199999999999999 109.124 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.48 27.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.32 -0.932 0 C-N-CA 121.423 1.415 . . . . 5.0499999999999998 110.371 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . 0.592 ' H ' ' C ' ' C' ' 3' ' ' LYS . 73.8 mt -81.45 119.53 23.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.858 -1.151 . . . . 5.1399999999999997 108.966 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.74 151.79 30.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.158 -0.963 . . . . 2.8500000000000001 109.645 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.32 146.69 46.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.452 -1.459 . . . . 1.27 109.452 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.73 139.99 57.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -1.133 . . . . 2.1099999999999999 109.561 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . 0.457 ' CB ' HE21 ' A' ' 13' ' ' GLN . 97.5 m-85 -107.26 147.26 30.43 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.432 -0.793 . . . . 1.01 109.125 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.57 136.67 43.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.279 -0.888 . . . . 0.57999999999999996 109.929 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -89.37 153.75 20.61 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.653 -0.869 . . . . 1.1599999999999999 108.653 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.97 132.83 18.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.896 -1.127 . . . . 1.1699999999999999 109.335 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -83.85 128.94 34.9 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.308 -0.997 . . . . 1.8100000000000001 108.308 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -119.98 119.98 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.36 -0.838 . . . . 1.1299999999999999 109.544 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -77.39 148.81 35.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.394 -0.816 . . . . 2.8199999999999998 110.375 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.22 125.03 0.68 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.463 -1.055 . . . . 0.45000000000000001 110.463 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.49 -40.99 89.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -1.137 . . . . 3.0800000000000001 109.175 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.03 -42.43 94.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 2.54 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.56 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 41.7 ttm180 -60.73 -40.12 91.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.245 -0.91 . . . . 4.1100000000000003 108.952 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.97 -49.64 76.88 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.874 -0.787 . . . . 0.56999999999999995 108.874 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.98 -41.41 91.96 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.376 -0.972 . . . . 1.6599999999999999 108.376 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -62.17 -49.85 74.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.476 -0.765 . . . . 1.29 109.042 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.2 -40.09 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.412 -0.805 . . . . 0.40000000000000002 109.005 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -58.74 -44.73 90.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.353 -0.842 . . . . 3.8500000000000001 109.203 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -48.05 83.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.255 -0.903 . . . . 1.78 109.048 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 1.1699999999999999 109.032 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.98 -49.99 75.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 1.2 109.236 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.77 -41.1 94.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 2.1200000000000001 109.427 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 1.0700000000000001 109.859 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.74 -41.89 98.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.394 -0.816 . . . . 1.1399999999999999 109.464 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.02 -40.53 89.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.955 . . . . 2.0899999999999999 109.406 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.26 -48.93 79.65 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.88 . . . . 1.3799999999999999 109.159 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -0.795 . . . . 2.6800000000000002 109.421 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 99.7 m-20 -59.74 -39.32 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.3400000000000001 109.471 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.65 86.37 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.166 -0.959 . . . . 1.3 108.876 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.0 -12.84 59.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 1.8 109.431 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.65 -12.24 60.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.994 . . . . 1.47 109.402 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.82 -2.7 88.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.721 -1.351 . . . . 1.6599999999999999 109.721 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -84.5 139.41 32.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.14 -1.212 . . . . 4.7800000000000002 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.86 148.3 69.61 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.307 -0.87 . . . . 6.1900000000000004 109.337 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.14 165.9 3.68 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 120.916 1.077 . . . . 6.1799999999999997 109.466 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 117.979 -1.456 . . . . 6.9000000000000004 109.561 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' D' ' 2' ' ' LYS . 57.0 tttp . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.868 -0.79 . . . . 7.6900000000000004 108.868 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' D' ' 1' ' ' LYS . 76.6 tttt 96.32 -5.46 0.07 Allowed 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 123.021 0.529 . . . . 7.4500000000000002 109.862 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' D' ' 5' ' ' LEU . 88.5 mttt 43.65 67.64 3.64 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 6.8399999999999999 110.413 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.87 28.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.316 -1.146 0 C-N-CA 121.489 1.459 . . . . 5.1200000000000001 110.782 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . 0.57 ' H ' ' C ' ' D' ' 3' ' ' LYS . 76.7 mt -81.88 120.14 24.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.858 -1.151 . . . . 4.6600000000000001 108.983 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -80.02 151.83 29.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.239 -0.913 . . . . 2.46 109.635 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.69 146.97 46.08 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.393 -1.483 . . . . 1.0800000000000001 109.393 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.96 139.96 57.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.343 -1.092 . . . . 1.6699999999999999 109.633 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -107.66 147.54 30.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.505 -0.747 . . . . 1.01 109.123 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.97 136.17 42.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.329 -0.857 . . . . 0.63 109.955 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.95 152.85 21.47 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.576 -0.898 . . . . 1.1299999999999999 108.576 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -147.16 133.07 19.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.933 -1.104 . . . . 1.1000000000000001 109.356 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . 0.415 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.9 tt0 -84.32 129.13 34.9 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.381 -0.97 . . . . 1.3700000000000001 108.381 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.04 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.393 -0.817 . . . . 1.1499999999999999 109.499 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -77.18 148.22 36.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.539 -0.726 . . . . 2.77 110.131 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 124.82 0.7 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.561 -1.016 . . . . 0.42999999999999999 110.561 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.02 -41.49 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -1.164 . . . . 3.1200000000000001 109.159 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.01 -42.22 93.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.148 -0.97 . . . . 2.2200000000000002 109.15 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.517 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 41.7 ttm180 -60.78 -40.04 91.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.232 -0.917 . . . . 3.5 108.933 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.93 -49.86 76.02 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.484 -0.76 . . . . 0.5 109.079 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.87 -41.36 91.34 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.44 -0.948 . . . . 1.6899999999999999 108.44 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.96 -50.06 73.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.489 -0.757 . . . . 1.1399999999999999 108.961 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.02 -40.06 94.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.348 -0.845 . . . . 0.32000000000000001 109.023 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.02 -44.36 91.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.313 -0.867 . . . . 2.96 109.11 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.0 -48.69 80.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.892 . . . . 1.75 109.058 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.03 -44.65 97.09 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.187 -0.945 . . . . 1.0800000000000001 109.104 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.349 -0.844 . . . . 1.22 109.225 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.88 -41.1 95.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.301 -0.874 . . . . 1.73 109.329 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 1.0700000000000001 109.713 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.93 -41.76 98.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 1.1100000000000001 109.502 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.1 -40.95 91.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.957 . . . . 1.9099999999999999 109.322 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.13 -48.86 79.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 1.1699999999999999 109.099 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -60.0 -39.93 87.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 2.1499999999999999 109.466 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.511 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.6 m-20 -59.58 -39.1 83.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 1.4399999999999999 109.639 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.56 86.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.18 -0.95 . . . . 1.3 109.003 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.09 -12.6 59.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.141 -0.975 . . . . 1.3999999999999999 109.451 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.32 60.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.123 -0.985 . . . . 1.6000000000000001 109.325 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.82 -2.88 90.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.613 -1.395 . . . . 1.5 109.613 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.48 140.26 31.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -1.182 . . . . 4.5499999999999998 109.082 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.92 148.35 77.04 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.094 -1.003 . . . . 5.6699999999999999 109.607 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.43 166.36 2.6 Favored 'Trans proline' 0 C--O 1.215 -0.662 0 C-N-CA 120.945 1.097 . . . . 6.1200000000000001 109.602 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 CA-C-O 117.927 -1.485 . . . . 7.2699999999999996 109.586 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.284 0.564 . . . . 7.6600000000000001 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.9 -140.04 0.81 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 7.5099999999999998 109.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 45.73 63.15 9.87 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.147 -0.97 . . . . 6.8099999999999996 109.997 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -86.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 121.426 1.417 . . . . 5.1500000000000004 109.683 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.39 125.06 29.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.837 -1.165 . . . . 4.7000000000000002 108.967 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.63 139.99 35.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.95 . . . . 2.48 109.199 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 138.66 31.37 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.527 -1.429 . . . . 1.0800000000000001 109.527 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.9 137.48 58.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.338 -1.095 . . . . 1.7 109.366 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.0 140.05 38.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.774 . . . . 1.04 109.806 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -134.39 139.89 45.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.65000000000000002 109.174 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 p -87.85 158.16 18.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.86 . . . . 1.1399999999999999 108.77 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.8 126.94 12.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 1.0900000000000001 109.413 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.01 34.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 1.3700000000000001 108.399 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 119.95 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.424 -0.797 . . . . 1.1499999999999999 109.393 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.33 149.49 33.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 2.79 110.101 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 117.6 0.91 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.03 -1.228 . . . . 0.45000000000000001 110.03 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 46.4 ttt-85 -62.45 -41.57 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -1.1 . . . . 3.1600000000000001 109.514 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.12 -40.56 90.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 2.2200000000000002 109.774 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.516 HH11 ' H1 ' ' A' ' 501' ' ' HOH . 41.6 ttm180 -63.44 -39.93 95.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 3.54 109.582 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.22 -49.69 76.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.5 109.387 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 17' ' ' ARG . 98.8 mt-10 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.097 -1.002 . . . . 1.6599999999999999 108.779 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.2 ttp -62.93 -52.13 64.24 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.279 -0.888 . . . . 1.1499999999999999 109.448 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.08 -42.35 99.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.271 -0.893 . . . . 0.34000000000000002 108.88 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.593 -0.891 . . . . 2.9399999999999999 108.593 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.08 -49.72 76.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -0.832 . . . . 1.74 108.852 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.4 -45.15 94.62 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.925 . . . . 1.0700000000000001 108.501 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.94 -49.88 75.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.798 . . . . 1.22 109.193 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -39.9 93.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.502 -0.749 . . . . 1.72 109.829 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.52 86.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.232 -0.917 . . . . 1.0700000000000001 109.29 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.45 -41.21 98.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.104 -0.997 . . . . 1.0800000000000001 108.865 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.22 -42.9 96.18 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.26 -0.9 . . . . 1.9099999999999999 108.916 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.15 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.498 -0.751 . . . . 1.1499999999999999 109.437 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.4 -43.64 98.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 2.1400000000000001 109.297 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.47 -0.769 . . . . 1.4299999999999999 110.01 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -0.937 . . . . 1.3 109.642 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.04 -8.18 59.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.237 -0.915 . . . . 1.4199999999999999 109.907 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -23.05 63.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.5800000000000001 110.204 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.87 98.19 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.817 -1.313 . . . . 1.54 109.817 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -87.36 142.78 27.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.125 -1.221 . . . . 4.5499999999999998 109.428 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 18.8 mp0 -57.32 148.39 53.58 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 5.71 109.015 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -57.13 147.85 73.08 Favored 'Trans proline' 0 C--N 1.324 -0.741 0 C-N-CA 120.963 1.109 . . . . 6.0899999999999999 109.706 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.941 -1.477 . . . . 7.2400000000000002 109.497 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.392 -0.596 . . . . 7.6699999999999999 109.392 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 49.89 -139.95 0.82 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 7.46 109.266 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 46.27 63.02 10.39 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 6.79 110.03 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -86.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 121.299 1.333 . . . . 5.1500000000000004 109.682 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.39 124.83 29.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.809 -1.182 . . . . 4.6600000000000001 109.024 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.11 139.89 36.66 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -0.843 . . . . 2.4700000000000002 109.176 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.22 138.44 30.88 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.335 -1.506 . . . . 1.0600000000000001 109.335 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 137.37 58.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.27 -1.135 . . . . 1.6100000000000001 109.49 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.84 140.27 38.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.424 -0.798 . . . . 0.96999999999999997 109.88 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -134.77 139.28 45.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.431 -0.793 . . . . 0.59999999999999998 109.204 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.3 p -87.53 157.58 19.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 1.1000000000000001 108.671 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 tp -147.45 126.84 13.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.955 -1.091 . . . . 1.1000000000000001 109.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.4 34.45 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.242 -1.021 . . . . 1.3600000000000001 108.242 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.06 120.09 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 1.1699999999999999 109.346 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.1 149.33 33.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.426 -0.796 . . . . 2.79 109.928 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.97 117.33 0.95 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.134 -1.187 . . . . 0.47999999999999998 110.134 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.44 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 45.3 ttt-85 -61.93 -42.29 98.94 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -1.175 . . . . 3.2200000000000002 109.684 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.12 -40.24 89.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.933 . . . . 2.21 109.726 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.479 HH11 ' H1 ' ' B' ' 503' ' ' HOH . 41.6 ttm180 -63.65 -39.87 95.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.933 . . . . 3.5499999999999998 109.664 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.13 -49.79 75.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.849 . . . . 0.52000000000000002 109.165 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.7 mt-10 -59.82 -40.76 89.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.071 -1.018 . . . . 1.6799999999999999 108.957 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 33.6 ttp -63.03 -51.46 66.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 1.1499999999999999 109.375 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -63.79 -42.71 97.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.33000000000000002 108.901 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.57 -43.43 93.6 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.28 -0.888 . . . . 3.02 108.645 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -49.51 77.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 1.75 108.822 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.0 -44.8 96.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.158 -0.963 . . . . 1.0700000000000001 108.541 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.34 -49.96 75.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.815 . . . . 1.21 109.223 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.549 -0.719 . . . . 1.6899999999999999 109.629 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.2 -46.87 87.31 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.166 -0.959 . . . . 1.0600000000000001 109.409 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.75 -41.31 97.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 1.0800000000000001 108.755 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.69 94.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.9299999999999999 109.063 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.27 -50.08 75.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 1.1399999999999999 109.462 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.24 -43.95 98.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 2.1899999999999999 109.292 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.02 -40.19 88.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 1.4299999999999999 109.894 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.93 94.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 1.3100000000000001 109.636 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.2 -8.29 59.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 1.3999999999999999 109.71 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.31 63.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.985 . . . . 1.5700000000000001 110.152 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.04 98.25 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.703 -1.359 . . . . 1.53 109.703 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.43 143.41 27.8 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.21 -1.171 . . . . 4.5800000000000001 109.534 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' B' ' 40' ' ' GLU . 19.8 mp0 -58.18 148.28 62.75 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 5.6799999999999997 108.811 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -57.39 145.32 88.52 Favored 'Trans proline' 0 C--N 1.321 -0.872 0 C-N-CA 120.87 1.047 . . . . 6.0499999999999998 109.754 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.481 -1.447 . . . . 7.2000000000000002 109.481 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.166 0.508 . . . . 9.2200000000000006 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 50.05 -140.11 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.18 -0.95 . . . . 8.5099999999999998 109.238 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 46.1 62.97 10.37 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 120.976 -1.078 . . . . 7.4199999999999999 110.09 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.9 -86.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.33 1.354 . . . . 5.0499999999999998 109.738 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.23 124.95 29.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.884 -1.135 . . . . 5.1399999999999997 108.93 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.28 139.97 36.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.201 -0.937 . . . . 2.8500000000000001 109.212 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.16 137.98 30.36 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.369 -1.492 . . . . 1.27 109.369 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 137.75 58.1 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.256 -1.143 . . . . 2.1099999999999999 109.356 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.3 140.31 38.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.405 -0.809 . . . . 1.01 109.779 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -134.84 139.0 44.72 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.353 -0.842 . . . . 0.57999999999999996 109.282 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -87.23 158.2 19.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.888 . . . . 1.1599999999999999 108.728 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 tp -147.79 127.54 13.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.102 -0.999 . . . . 1.1699999999999999 109.181 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -87.46 125.95 34.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.328 -0.99 . . . . 1.8100000000000001 108.328 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.93 119.96 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.392 -0.817 . . . . 1.1299999999999999 109.525 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -78.13 147.39 34.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 2.8199999999999998 110.29 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.36 118.24 1.23 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.834 -1.306 . . . . 0.45000000000000001 109.834 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.484 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 43.1 ttt-85 -63.21 -40.55 97.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -1.114 . . . . 3.0800000000000001 109.695 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.3 -40.43 94.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.174 -0.954 . . . . 2.54 109.559 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.471 HH11 ' H1 ' ' C' ' 502' ' ' HOH . 41.4 ttm180 -63.36 -39.77 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 4.1100000000000003 109.508 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.37 -49.76 76.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.255 -0.903 . . . . 0.56999999999999995 109.114 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . 0.484 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 99.0 mt-10 -59.93 -40.72 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.939 -1.101 . . . . 1.6599999999999999 109.064 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.0 ttp -62.87 -51.06 68.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 1.29 109.448 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.14 -42.69 96.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.28 -0.888 . . . . 0.40000000000000002 108.826 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.59 -43.07 93.8 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.287 -0.883 . . . . 3.8500000000000001 108.732 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.6 77.03 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.362 -0.836 . . . . 1.78 108.794 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.66 -44.93 95.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 1.1699999999999999 108.587 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.06 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.38 -0.825 . . . . 1.2 109.246 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.8 -39.97 93.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.411 -0.805 . . . . 2.1200000000000001 109.767 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.84 -46.81 86.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.189 -0.945 . . . . 1.0700000000000001 109.242 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.19 -41.39 98.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.071 -1.018 . . . . 1.1399999999999999 108.828 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.39 -42.65 96.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 2.0899999999999999 108.789 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.498 -0.751 . . . . 1.3799999999999999 109.508 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -61.48 -43.7 98.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 2.6800000000000002 109.389 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.03 -40.08 88.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 110.087 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.79 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.247 -0.908 . . . . 1.3 109.578 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.34 -8.01 59.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 1.8 109.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.45 63.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 1.47 110.167 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.96 -41.99 98.11 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.82 -1.312 . . . . 1.6599999999999999 109.82 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.78 143.59 27.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -1.16 . . . . 4.7800000000000002 109.516 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' C' ' 40' ' ' GLU . 16.6 mp0 -57.63 148.21 57.55 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 6.1900000000000004 108.982 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.12 145.97 83.59 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 120.854 1.036 . . . . 6.1799999999999997 109.69 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.296 -1.522 . . . . 6.9000000000000004 109.296 179.814 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.319 0.58 . . . . 7.6900000000000004 109.522 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 50.03 -140.01 0.82 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 7.4500000000000002 109.319 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 46.28 63.08 10.3 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.049 -1.032 . . . . 6.8399999999999999 110.105 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -86.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.3 1.334 . . . . 5.1200000000000001 109.711 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.04 124.76 29.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.865 -1.147 . . . . 4.6600000000000001 109.091 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -80.2 139.61 36.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -0.974 . . . . 2.46 109.328 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 138.31 31.86 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.347 -1.501 . . . . 1.0800000000000001 109.347 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.77 136.82 58.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -1.167 . . . . 1.6699999999999999 109.51 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.39 140.66 37.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.364 -0.835 . . . . 1.01 109.902 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.85 139.83 45.35 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.405 -0.81 . . . . 0.63 109.205 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -87.92 157.71 18.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 1.1299999999999999 108.704 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.87 126.7 12.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 1.1000000000000001 109.373 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.54 126.36 34.41 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.347 -0.982 . . . . 1.3700000000000001 108.347 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.12 119.95 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.394 -0.816 . . . . 1.1499999999999999 109.446 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -77.87 149.94 34.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 2.77 110.04 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 117.74 0.84 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.155 -1.178 . . . . 0.42999999999999999 110.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . 0.489 ' NH1' ' OE2' ' D' ' 21' ' ' GLU . 46.0 ttt-85 -61.97 -42.2 98.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -1.102 . . . . 3.1200000000000001 109.667 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.03 -40.09 88.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.751 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.498 HH11 ' H1 ' ' D' ' 504' ' ' HOH . 41.7 ttm180 -63.96 -39.29 93.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.288 -0.882 . . . . 3.5 109.507 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.76 -49.73 76.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.414 -0.804 . . . . 0.5 109.348 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.489 ' OE2' ' NH1' ' D' ' 17' ' ' ARG . 98.9 mt-10 -59.88 -40.28 88.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.056 -1.027 . . . . 1.6899999999999999 108.819 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 31.1 ttp -63.38 -52.41 61.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.227 -0.92 . . . . 1.1399999999999999 109.534 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -63.11 -42.32 99.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.32000000000000001 108.887 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.8 -43.24 94.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.231 -0.918 . . . . 2.96 108.703 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.82 76.15 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.28 -0.888 . . . . 1.75 108.849 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -44.63 96.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.237 -0.914 . . . . 1.0800000000000001 108.544 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.1 -49.97 75.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.442 -0.786 . . . . 1.22 109.231 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.58 -39.83 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 1.73 109.946 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.09 -46.61 87.86 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.217 -0.927 . . . . 1.0700000000000001 109.509 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.082 -1.011 . . . . 1.1100000000000001 108.736 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.5 -42.67 96.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.344 -0.848 . . . . 1.9099999999999999 108.913 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.11 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 1.1699999999999999 109.568 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.4 -43.7 98.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 2.1499999999999999 109.229 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.425 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 94.3 m-20 -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 110.039 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.0 94.16 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.067 -1.021 . . . . 1.3 109.739 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.07 -8.07 59.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 1.3999999999999999 109.839 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.4 63.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 1.6000000000000001 110.087 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -41.73 97.87 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.778 -1.329 . . . . 1.5 109.778 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.82 144.69 26.92 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.172 -1.193 . . . . 4.5499999999999998 109.315 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' D' ' 40' ' ' GLU . 19.3 mp0 -59.92 148.05 77.83 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 5.6699999999999999 108.947 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -56.76 146.28 78.47 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 121.06 1.174 . . . . 6.1200000000000001 109.724 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.905 -1.497 . . . . 7.2699999999999996 109.747 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . 0.516 ' H1 ' HH11 ' A' ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . 0.479 ' H1 ' HH11 ' B' ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . 0.471 ' H1 ' HH11 ' C' ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . 0.498 ' H1 ' HH11 ' D' ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.4 mttp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.406 -0.591 . . . . 7.6600000000000001 109.406 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 50.98 57.23 6.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 7.5099999999999998 109.296 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.4 mttt 54.08 69.79 2.01 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 6.8099999999999996 109.461 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.31 87.92 0.2 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.583 1.522 . . . . 5.1500000000000004 110.006 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.53 10.06 9.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.178 -0.951 . . . . 4.7000000000000002 109.594 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.86 159.98 32.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.187 -0.946 . . . . 2.48 109.83 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.03 158.69 51.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.991 -1.244 . . . . 1.0800000000000001 109.991 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.12 140.03 57.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -1.014 . . . . 1.7 110.133 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.409 -0.807 . . . . 1.04 109.0 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.21 140.28 51.54 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.325 -0.859 . . . . 0.65000000000000002 110.217 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -90.02 151.86 21.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.372 -0.83 . . . . 1.1399999999999999 108.858 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -146.68 134.05 20.72 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.027 -1.046 . . . . 1.0900000000000001 109.816 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.07 34.91 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.718 -0.845 . . . . 1.3700000000000001 108.718 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.1 121.3 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.472 -0.767 . . . . 1.1499999999999999 109.964 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.24 146.97 38.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.569 -0.707 . . . . 2.79 110.394 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.58 125.32 0.62 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.671 -0.972 . . . . 0.45000000000000001 110.671 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -65.22 -43.02 92.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.357 -1.084 . . . . 3.1600000000000001 109.459 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.05 -40.06 88.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.037 . . . . 2.2200000000000002 109.616 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.3 ttm180 -61.33 -40.0 92.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.206 -0.934 . . . . 3.54 108.819 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.1 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.5 109.541 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.56 -42.09 91.65 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 1.6599999999999999 108.896 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 43.2 ttp -62.89 -49.7 73.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.337 -0.852 . . . . 1.1499999999999999 109.269 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.71 -39.97 90.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.34000000000000002 109.247 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -57.59 -47.04 83.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.207 -0.933 . . . . 2.9399999999999999 108.714 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -45.36 93.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.226 -0.921 . . . . 1.74 109.325 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.09 -43.33 98.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 1.0700000000000001 110.035 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -59.96 -49.98 75.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 1.22 109.409 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -62.24 -39.96 94.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.464 -0.773 . . . . 1.72 109.513 179.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.26 74.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.921 . . . . 1.0700000000000001 109.667 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.39 -43.05 98.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 1.0800000000000001 109.438 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.78 -40.07 91.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.95 . . . . 1.9099999999999999 109.438 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.44 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.322 -0.862 . . . . 1.1499999999999999 109.283 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.65 -49.53 76.16 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.34 -0.85 . . . . 2.1400000000000001 109.52 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.427 -0.796 . . . . 1.4299999999999999 109.838 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.4 66.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.999 . . . . 1.3 109.675 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.4 mt-30 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 1.4199999999999999 109.484 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -71.04 -7.66 47.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 1.5800000000000001 109.682 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.09 3.97 3.75 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.617 -1.393 . . . . 1.54 109.617 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.3 tttm -84.18 132.09 34.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.137 -1.213 . . . . 4.5499999999999998 109.258 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -55.03 133.88 67.9 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 5.71 108.871 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.07 136.63 75.96 Favored 'Trans proline' 0 C--O 1.214 -0.701 0 N-CA-C 109.686 -0.928 . . . . 6.0899999999999999 109.686 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 117.929 -1.484 . . . . 7.2400000000000002 109.448 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.568 -0.53 . . . . 7.6699999999999999 109.568 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 51.2 56.68 7.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 7.46 109.43 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 72.8 mttt 54.51 69.47 2.09 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.288 -0.883 . . . . 6.79 109.383 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.56 88.31 0.17 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.501 1.468 . . . . 5.1500000000000004 110.122 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.83 9.83 11.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.231 -0.918 . . . . 4.6600000000000001 109.659 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.24 159.84 31.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 2.4700000000000002 109.893 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.05 159.67 49.36 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.074 -1.21 . . . . 1.0600000000000001 110.074 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.24 139.95 58.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.502 -0.999 . . . . 1.6100000000000001 110.05 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -96.74 145.21 26.01 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.362 -0.836 . . . . 0.96999999999999997 109.021 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.9 140.18 51.79 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 0.59999999999999998 110.255 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -89.92 151.9 21.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.405 -0.81 . . . . 1.1000000000000001 108.883 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -146.54 133.8 20.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.958 -1.089 . . . . 1.1000000000000001 109.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -84.12 128.94 34.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.764 -0.828 . . . . 1.3600000000000001 108.764 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.05 121.12 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.398 -0.814 . . . . 1.1699999999999999 110.214 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.26 147.41 38.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.52 -0.737 . . . . 2.79 110.353 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.47 124.8 0.58 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.69 -0.964 . . . . 0.47999999999999998 110.69 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -64.6 -43.41 93.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -1.084 . . . . 3.2200000000000002 109.521 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -0.99 . . . . 2.21 109.639 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.06 92.27 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 3.5499999999999998 108.941 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.91 -49.04 79.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.52000000000000002 109.605 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.94 -42.75 90.51 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.139 -0.976 . . . . 1.6799999999999999 108.892 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 43.2 ttp -62.27 -50.02 73.35 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.272 -0.892 . . . . 1.1499999999999999 109.433 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.19 -40.09 88.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.33000000000000002 109.199 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -58.08 -46.79 84.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.296 -0.877 . . . . 3.02 108.767 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.17 -45.33 93.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.203 -0.936 . . . . 1.75 109.186 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.38 -43.02 98.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 1.0700000000000001 110.055 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -60.03 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.084 -1.01 . . . . 1.21 109.23 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -62.23 -39.97 94.58 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.66 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.09 75.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.209 -0.932 . . . . 1.0600000000000001 109.689 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.48 -43.06 98.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.183 -0.948 . . . . 1.0800000000000001 109.368 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.403 ' CG ' HH12 ' D' ' 19' ' ' ARG . 42.7 mt-10 -60.59 -40.23 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 1.9299999999999999 109.474 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.05 -49.95 75.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.309 -0.869 . . . . 1.1399999999999999 109.344 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.62 -49.43 76.6 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.403 -0.81 . . . . 2.1899999999999999 109.556 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.525 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.7 m-20 -60.01 -40.25 88.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.365 -0.834 . . . . 1.4299999999999999 110.045 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.84 68.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.116 -0.99 . . . . 1.3100000000000001 109.626 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.441 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.5 mt-30 -73.37 -39.66 64.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 1.3999999999999999 109.655 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -71.42 -7.92 50.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.335 -0.853 . . . . 1.5700000000000001 109.669 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.67 3.93 3.36 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.628 -1.389 . . . . 1.53 109.628 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' B' ' 37' ' ' ALA . 64.5 tttm -84.19 131.59 34.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.161 -1.199 . . . . 4.5800000000000001 109.425 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.82 133.85 66.06 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 108.837 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.01 136.52 75.29 Favored 'Trans proline' 0 C--O 1.216 -0.609 0 N-CA-C 109.76 -0.9 . . . . 6.0499999999999998 109.76 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 118.01 -1.439 . . . . 7.2000000000000002 109.508 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.457 -0.571 . . . . 9.2200000000000006 109.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 50.76 56.77 7.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 8.5099999999999998 109.398 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 54.66 69.8 1.93 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 7.4199999999999999 109.356 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.18 88.2 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 121.595 1.53 . . . . 5.0499999999999998 110.052 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.79 10.01 10.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.253 -0.904 . . . . 5.1399999999999997 109.555 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -73.94 159.79 32.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.076 -1.015 . . . . 2.8500000000000001 109.937 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 159.01 51.02 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.123 -1.191 . . . . 1.27 110.123 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.38 140.01 57.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.393 -1.063 . . . . 2.1099999999999999 109.918 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.83 146.79 24.58 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.438 -0.789 . . . . 1.01 108.872 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.66 140.05 50.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.245 -0.909 . . . . 0.57999999999999996 110.079 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -89.81 151.8 21.6 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.875 -0.787 . . . . 1.1599999999999999 108.875 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.45 133.88 20.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.051 -1.031 . . . . 1.1699999999999999 109.738 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -83.86 129.35 34.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.655 -0.869 . . . . 1.8100000000000001 108.655 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.44 121.36 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.389 -0.82 . . . . 1.1299999999999999 110.044 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -76.57 147.53 37.61 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.537 -0.727 . . . . 2.8199999999999998 110.332 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.28 125.67 0.6 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.679 -0.968 . . . . 0.45000000000000001 110.679 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.5 -43.07 91.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -1.075 . . . . 3.0800000000000001 109.426 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.2 -40.11 88.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 2.54 109.602 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 40.8 ttm180 -61.09 -39.98 92.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.207 -0.933 . . . . 4.1100000000000003 108.978 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -60.1 -48.67 80.75 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.56999999999999995 109.62 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.22 -42.26 90.56 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.114 -0.991 . . . . 1.6599999999999999 108.946 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 44.8 ttp -62.95 -49.67 73.83 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.358 -0.839 . . . . 1.29 109.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.5 -40.02 89.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.335 -0.853 . . . . 0.40000000000000002 109.091 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -58.09 -46.48 85.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.317 -0.865 . . . . 3.8500000000000001 108.809 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -45.57 92.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 1.78 109.263 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.19 -42.81 99.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 1.1699999999999999 110.071 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -59.98 -50.06 75.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.017 -1.052 . . . . 1.2 109.318 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -62.26 -40.02 94.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 2.1200000000000001 109.545 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.54 -50.45 73.75 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.28 -0.888 . . . . 1.0700000000000001 109.724 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 109.412 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . 0.455 ' CG ' HH12 ' A' ' 19' ' ' ARG . 42.8 mt-10 -60.61 -40.26 91.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 2.0899999999999999 109.493 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.13 -49.99 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 1.3799999999999999 109.334 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.65 -49.32 77.03 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.476 -0.765 . . . . 2.6800000000000002 109.582 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.2 m-20 -60.14 -40.51 90.08 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 1.3400000000000001 110.084 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.76 69.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.166 -0.959 . . . . 1.3 109.622 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . 0.439 ' OE1' ' OE1' ' D' ' 36' ' ' GLN . 27.5 mt-30 -73.22 -40.0 65.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.211 -0.931 . . . . 1.8 109.636 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.475 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -71.15 -7.15 44.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.381 -0.824 . . . . 1.47 109.662 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.54 4.52 3.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.448 -1.461 . . . . 1.6599999999999999 109.448 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' C' ' 37' ' ' ALA . 64.5 tttm -84.53 131.88 34.59 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 4.7800000000000002 109.354 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -55.1 133.93 68.29 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 6.1900000000000004 108.755 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -55.85 137.48 78.82 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 N-CA-C 109.764 -0.898 . . . . 6.1799999999999997 109.764 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 117.955 -1.469 . . . . 6.9000000000000004 109.474 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.522 -0.547 . . . . 7.6900000000000004 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 50.87 56.91 7.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.146 -0.971 . . . . 7.4500000000000002 109.474 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 54.08 69.81 2.0 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 6.8399999999999999 109.398 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.22 88.2 0.19 Allowed 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.573 1.515 . . . . 5.1200000000000001 110.076 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.52 9.94 10.15 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.193 -0.942 . . . . 4.6600000000000001 109.651 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.96 160.0 31.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 2.46 109.924 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.92 159.2 51.22 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.116 -1.194 . . . . 1.0800000000000001 110.116 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.21 140.01 57.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.466 -1.02 . . . . 1.6699999999999999 110.096 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.12 144.95 26.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 1.01 109.086 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.88 140.05 51.86 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.3 -0.875 . . . . 0.63 110.258 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -89.84 152.17 21.4 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.92 -0.77 . . . . 1.1299999999999999 108.92 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -146.81 133.98 20.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.964 -1.085 . . . . 1.1000000000000001 109.829 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.06 34.91 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.632 -0.877 . . . . 1.3700000000000001 108.632 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.06 121.42 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.379 -0.825 . . . . 1.1499999999999999 110.216 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -76.33 147.66 37.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.518 -0.739 . . . . 2.77 110.367 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.16 125.5 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.717 -0.953 . . . . 0.42999999999999999 110.717 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.3 -43.18 91.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -1.108 . . . . 3.1200000000000001 109.473 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.01 -40.17 88.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 109.725 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.525 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.0 92.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.156 -0.965 . . . . 3.5 108.94 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.99 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.342 -0.848 . . . . 0.5 109.437 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.09 -42.64 90.92 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.139 -0.975 . . . . 1.6899999999999999 108.846 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 44.7 ttp -62.72 -49.46 74.95 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.267 -0.895 . . . . 1.1399999999999999 109.351 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.7 -39.99 90.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.32000000000000001 109.164 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -58.12 -46.54 85.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.296 -0.877 . . . . 2.96 108.774 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.14 -45.77 91.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.838 . . . . 1.75 109.333 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.26 -42.7 99.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 1.0800000000000001 110.04 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.16 -49.92 75.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.034 -1.041 . . . . 1.22 109.351 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' D' ' 28' ' ' GLU . 0.3 OUTLIER -62.51 -39.98 95.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.49 -0.756 . . . . 1.73 109.467 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.71 -50.01 75.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 1.0700000000000001 109.665 -179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -42.48 97.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.195 -0.94 . . . . 1.1100000000000001 109.457 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.24 -40.01 92.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.9099999999999999 109.415 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.07 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 1.1699999999999999 109.254 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.61 -49.52 76.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.451 -0.781 . . . . 2.1499999999999999 109.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.2 m-20 -60.01 -39.99 87.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.41 -0.806 . . . . 1.4399999999999999 110.007 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.14 67.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.949 . . . . 1.3 109.527 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . 0.439 ' OE1' ' OE1' ' C' ' 36' ' ' GLN . 27.4 mt-30 -73.07 -40.0 65.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.312 -0.868 . . . . 1.3999999999999999 109.591 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -71.05 -7.42 46.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 1.6000000000000001 109.549 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.09 3.76 3.9 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.58 -1.408 . . . . 1.5 109.58 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' D' ' 37' ' ' ALA . 64.4 tttm -83.95 133.14 34.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -1.151 . . . . 4.5499999999999998 109.32 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.4 134.92 76.37 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 5.6699999999999999 108.838 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -56.64 134.3 63.52 Favored 'Trans proline' 0 C--O 1.215 -0.627 0 N-CA-C 109.729 -0.912 . . . . 6.1200000000000001 109.729 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.422 -1.471 . . . . 7.2699999999999996 109.422 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 3' ' ' LYS . 67.6 mttm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.622 0.248 . . . . 7.6600000000000001 110.785 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 3' ' ' LYS . 98.5 mttt 49.72 -12.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.17 0.804 . . . . 7.5099999999999998 113.17 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.633 ' N ' ' O ' ' A' ' 1' ' ' LYS . 93.8 mttt 42.98 70.36 1.85 Allowed Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.522 -1.361 . . . . 6.8099999999999996 110.762 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -57.59 171.18 1.5 Allowed 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.221 1.281 . . . . 5.1500000000000004 109.738 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.67 123.59 28.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.189 -0.944 . . . . 4.7000000000000002 109.772 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.02 170.59 16.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.586 -0.696 . . . . 2.48 109.15 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -64.94 143.07 45.98 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.13 -1.588 . . . . 1.0800000000000001 109.13 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.01 137.88 57.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.323 -1.104 . . . . 1.7 110.055 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 97.2 m-85 -110.65 141.51 43.78 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 109.051 -0.722 . . . . 1.04 109.051 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -133.48 139.55 46.73 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.193 -0.942 . . . . 0.65000000000000002 109.938 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.8 p -89.0 155.4 19.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.36 -0.838 . . . . 1.1399999999999999 108.798 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -147.15 129.91 16.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.964 -1.085 . . . . 1.0900000000000001 109.534 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -83.03 128.37 34.41 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.749 -0.834 . . . . 1.3700000000000001 108.749 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.98 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.489 -0.757 . . . . 1.1499999999999999 109.603 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -75.73 147.42 39.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 2.79 110.018 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.05 121.9 0.52 Allowed Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.346 -1.102 . . . . 0.45000000000000001 110.346 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 17' ' ' ARG . 34.5 ttt-85 -64.49 -40.83 96.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.112 . . . . 3.1600000000000001 109.605 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.76 -40.68 93.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 2.2200000000000002 109.141 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.28 -40.05 89.05 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.909 -0.775 . . . . 3.54 108.909 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.23 -49.22 78.69 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.41 -0.806 . . . . 0.5 109.32 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.3 88.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.978 -1.076 . . . . 1.6599999999999999 108.639 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.85 -49.92 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 1.1499999999999999 108.761 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.77 -40.02 96.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.673 -0.862 . . . . 0.34000000000000002 108.673 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' A' ' 24' ' ' ARG . 22.3 ttt-85 -56.89 -46.59 81.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.418 -0.801 . . . . 2.9399999999999999 109.041 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.95 -47.99 83.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.296 -0.878 . . . . 1.74 108.891 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.98 -45.9 91.59 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.305 -0.872 . . . . 1.0700000000000001 108.929 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.92 -50.1 75.1 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.301 -0.875 . . . . 1.22 109.635 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' CD ' ' HZ2' ' B' ' 33' ' ' LYS . 86.1 tt0 -62.34 -39.94 94.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 1.72 109.549 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.29 82.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.186 -0.946 . . . . 1.0700000000000001 109.336 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.124 -0.985 . . . . 1.0800000000000001 109.24 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -41.69 93.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 1.9099999999999999 109.232 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.28 -44.15 97.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.326 -0.991 . . . . 1.1499999999999999 108.326 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HZ2' ' CD ' ' B' ' 28' ' ' GLU . 20.0 ttmm -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.031 -0.729 . . . . 2.1400000000000001 109.031 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.0 -39.96 87.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.104 -0.997 . . . . 1.4299999999999999 108.991 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.93 93.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.332 -0.855 . . . . 1.3 108.946 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -71.07 -35.12 71.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.343 -0.848 . . . . 1.4199999999999999 109.57 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -6.33 18.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.331 -0.856 . . . . 1.5800000000000001 109.67 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -1.31 85.76 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.057 -1.617 . . . . 1.54 109.057 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.13 151.85 25.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.405 -1.056 . . . . 4.5499999999999998 109.164 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.8 mp0 -57.54 149.29 51.44 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.135 -0.978 . . . . 5.71 109.225 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -53.98 135.86 64.93 Favored 'Trans proline' 0 C--N 1.323 -0.769 0 C-N-CA 121.116 1.211 . . . . 6.0899999999999999 109.935 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 117.974 -1.459 . . . . 7.2400000000000002 109.725 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' B' ' 3' ' ' LYS . 67.5 mttm . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.647 0.261 . . . . 7.6699999999999999 110.653 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' LYS . 98.4 mttt 49.83 -12.24 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.116 0.784 . . . . 7.46 113.116 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 1' ' ' LYS . 95.7 mttt 42.63 70.27 1.85 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.533 -1.355 . . . . 6.79 110.837 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -57.38 171.42 1.3 Allowed 'Trans proline' 0 C--N 1.316 -1.132 0 C-N-CA 121.183 1.255 . . . . 5.1500000000000004 109.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.66 123.48 28.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.172 -0.955 . . . . 4.6600000000000001 109.969 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -80.71 168.21 19.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.416 -0.803 . . . . 2.4700000000000002 109.329 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.455 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -61.34 142.64 48.44 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.415 -1.474 . . . . 1.0600000000000001 109.415 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.17 138.12 57.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -1.152 . . . . 1.6100000000000001 109.92 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 97.4 m-85 -110.68 141.99 43.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.6 -0.688 . . . . 0.96999999999999997 109.204 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.28 139.08 45.47 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.243 -0.91 . . . . 0.59999999999999998 109.997 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -89.3 154.98 19.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.882 . . . . 1.1000000000000001 108.658 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.8 tp -146.66 130.28 16.93 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.053 -1.029 . . . . 1.1000000000000001 109.606 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.19 128.35 34.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 108.84 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 119.99 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.414 -0.804 . . . . 1.1699999999999999 109.807 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.56 147.01 40.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.449 -0.782 . . . . 2.79 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.31 122.36 0.57 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.218 -1.153 . . . . 0.47999999999999998 110.218 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 33.4 ttt-85 -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -1.123 . . . . 3.2200000000000002 109.41 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.53 -41.49 94.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 2.21 109.144 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.898 -0.778 . . . . 3.5499999999999998 108.898 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.34 -49.48 77.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.395 -0.816 . . . . 0.52000000000000002 109.386 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.423 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.9 mt-10 -59.79 -40.26 87.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.949 -1.094 . . . . 1.6799999999999999 108.62 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -60.61 -50.02 75.21 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.381 -0.825 . . . . 1.1499999999999999 108.873 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.68 -40.05 95.88 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.621 -0.881 . . . . 0.33000000000000002 108.621 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' B' ' 24' ' ' ARG . 23.3 ttt-85 -56.7 -46.59 81.13 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.438 -0.789 . . . . 3.02 109.051 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.02 -48.02 83.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.26 -0.9 . . . . 1.75 108.833 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.24 -45.54 92.88 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.262 -0.899 . . . . 1.0700000000000001 108.934 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 -50.29 74.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.347 -0.846 . . . . 1.21 109.64 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.528 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 86.0 tt0 -62.27 -40.0 94.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 109.493 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.78 80.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 1.0600000000000001 109.387 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.59 -41.47 98.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 1.0800000000000001 109.244 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.09 -41.68 93.01 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.092 -1.005 . . . . 1.9299999999999999 109.217 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.46 -44.15 97.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.24 -1.022 . . . . 1.1399999999999999 108.24 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.45 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 19.9 ttmm -59.99 -39.91 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.541 -0.724 . . . . 2.1899999999999999 109.074 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.9 . . . . 1.4299999999999999 108.892 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.02 94.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 1.3100000000000001 109.009 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.74 -35.85 72.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.3999999999999999 109.54 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -6.07 17.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.254 -0.904 . . . . 1.5700000000000001 109.683 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.13 -1.54 85.69 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.986 -1.645 . . . . 1.53 108.986 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.3 152.07 25.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.315 -1.109 . . . . 4.5800000000000001 109.269 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' B' ' 40' ' ' GLU . 2.9 mp0 -57.56 149.14 52.48 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 5.6799999999999997 109.283 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -54.5 135.8 67.57 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.197 1.265 . . . . 6.0499999999999998 109.979 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.485 -1.446 . . . . 7.2000000000000002 109.485 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.614 ' O ' ' N ' ' C' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.67 0.272 . . . . 9.2200000000000006 110.659 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.44 ' H ' ' H2 ' ' C' ' 1' ' ' LYS . 98.5 mttt 49.78 -12.07 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.084 0.772 . . . . 8.5099999999999998 113.084 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' C' ' 1' ' ' LYS . 96.1 mttt 42.84 70.33 1.85 Allowed Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 120.606 -1.309 . . . . 7.4199999999999999 110.804 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -57.78 171.02 1.67 Allowed 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.296 1.33 . . . . 5.0499999999999998 109.911 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.72 124.24 28.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 5.1399999999999997 109.706 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.54 169.93 17.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 2.8500000000000001 109.106 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' C' ' 9' ' ' TYR . . . -63.88 143.16 47.38 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.223 -1.551 . . . . 1.27 109.223 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.19 138.47 57.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -1.161 . . . . 2.1099999999999999 109.942 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' C' ' 7' ' ' GLY . 97.1 m-85 -110.96 141.68 44.07 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.02 -0.733 . . . . 1.01 109.02 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.61 139.71 46.68 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.258 -0.901 . . . . 0.57999999999999996 109.975 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 60.7 p -89.24 155.44 19.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.643 -0.873 . . . . 1.1599999999999999 108.643 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.47 129.49 15.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.036 -1.04 . . . . 1.1699999999999999 109.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.5 128.58 34.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 1.8100000000000001 108.795 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.02 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.365 -0.835 . . . . 1.1299999999999999 109.66 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -75.77 147.25 39.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.39 -0.818 . . . . 2.8199999999999998 110.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 122.43 0.58 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.235 -1.146 . . . . 0.45000000000000001 110.235 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' C' ' 17' ' ' ARG . 34.5 ttt-85 -64.68 -41.08 96.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.342 -1.093 . . . . 3.0800000000000001 109.643 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.76 -40.97 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 2.54 109.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.95 -40.12 87.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.451 -0.781 . . . . 4.1100000000000003 108.912 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.32 -49.19 78.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.56999999999999995 109.353 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.95 -40.22 88.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.065 . . . . 1.6599999999999999 108.6 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.4 ttp -60.82 -49.98 75.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.439 -0.788 . . . . 1.29 109.058 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.02 -40.02 96.5 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.574 -0.899 . . . . 0.40000000000000002 108.574 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' C' ' 24' ' ' ARG . 21.7 ttt-85 -56.84 -46.57 81.62 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.479 -0.763 . . . . 3.8500000000000001 109.029 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.02 -48.23 82.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 1.78 108.792 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.81 -45.89 91.87 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.213 -0.93 . . . . 1.1699999999999999 109.043 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.98 -50.36 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.2 109.532 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.563 ' CD ' ' HZ2' ' D' ' 33' ' ' LYS . 85.8 tt0 -61.9 -40.03 94.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.915 . . . . 2.1200000000000001 109.5 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.301 -0.875 . . . . 1.0700000000000001 109.392 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.27 -41.77 98.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.113 -0.992 . . . . 1.1399999999999999 109.137 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -41.81 93.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 2.0899999999999999 109.294 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.35 -43.95 98.01 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.265 -1.013 . . . . 1.3799999999999999 108.265 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.508 ' HZ2' ' CD ' ' D' ' 28' ' ' GLU . 19.8 ttmm -60.14 -39.99 88.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.552 -0.718 . . . . 2.6800000000000002 109.09 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.206 -0.934 . . . . 1.3400000000000001 108.979 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.08 94.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.364 -0.835 . . . . 1.3 108.886 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.92 -34.98 72.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.393 -0.817 . . . . 1.8 109.625 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.0 22.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 1.47 109.736 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.56 -1.87 83.62 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.047 -1.621 . . . . 1.6599999999999999 109.047 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.64 151.96 26.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.468 -1.019 . . . . 4.7800000000000002 109.251 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.485 ' H ' ' CD ' ' C' ' 40' ' ' GLU . 3.1 mp0 -57.34 149.32 49.18 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 6.1900000000000004 109.234 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -54.15 134.56 60.89 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.082 1.188 . . . . 6.1799999999999997 110.086 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 117.951 -1.472 . . . . 6.9000000000000004 109.681 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' D' ' 3' ' ' LYS . 65.1 mttm . . . . . 0 C--O 1.197 -1.67 0 N-CA-C 107.705 -1.22 . . . . 7.6900000000000004 107.705 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -35.33 -4.79 0.0 OUTLIER 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 113.678 0.992 . . . . 7.4500000000000002 113.678 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.791 ' N ' ' O ' ' D' ' 1' ' ' LYS . 91.2 mttt 50.39 67.02 4.77 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 120.209 -1.557 . . . . 6.8399999999999999 109.483 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -57.21 170.59 1.54 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.165 1.243 . . . . 5.1200000000000001 109.507 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.89 124.62 28.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.104 -0.998 . . . . 4.6600000000000001 109.543 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.43 170.24 16.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.385 -0.822 . . . . 2.46 109.263 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . 0.447 ' O ' ' CE1' ' D' ' 9' ' ' TYR . . . -64.06 142.82 46.74 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.133 -1.587 . . . . 1.0800000000000001 109.133 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 138.46 57.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.152 -1.205 . . . . 1.6699999999999999 109.91 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.447 ' CE1' ' O ' ' D' ' 7' ' ' GLY . 97.1 m-85 -110.98 141.93 43.77 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.175 -0.676 . . . . 1.01 109.175 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -133.88 139.06 45.96 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.263 -0.898 . . . . 0.63 109.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.99 154.93 19.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 1.1299999999999999 108.666 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -146.47 130.28 17.12 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.032 -1.042 . . . . 1.1000000000000001 109.46 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -83.3 128.28 34.37 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.577 -0.898 . . . . 1.3700000000000001 108.577 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -120.03 120.02 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.41 -0.806 . . . . 1.1499999999999999 109.791 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.9 147.14 39.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.514 -0.742 . . . . 2.77 110.012 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.48 122.09 0.58 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.281 -1.128 . . . . 0.42999999999999999 110.281 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' D' ' 17' ' ' ARG . 35.0 ttt-85 -64.44 -41.23 96.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -1.103 . . . . 3.1200000000000001 109.421 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.57 -40.95 93.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.13 -0.981 . . . . 2.2200000000000002 109.156 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.05 -40.12 88.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.841 . . . . 3.5 109.025 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.07 -48.97 79.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.5 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.99 -40.57 89.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.909 -1.119 . . . . 1.6899999999999999 108.75 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -60.8 -50.14 74.67 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.374 -0.829 . . . . 1.1399999999999999 108.918 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.75 -39.94 95.7 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.634 -0.876 . . . . 0.32000000000000001 108.634 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . 0.437 ' HG2' HH11 ' D' ' 24' ' ' ARG . 22.9 ttt-85 -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.473 -0.767 . . . . 2.96 109.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -47.98 83.64 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.859 . . . . 1.75 108.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.0 -45.77 92.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.155 -0.966 . . . . 1.0800000000000001 108.865 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.01 -50.33 74.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.358 -0.839 . . . . 1.22 109.617 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . 0.508 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 85.9 tt0 -62.03 -40.02 94.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 1.73 109.429 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.187 -0.946 . . . . 1.0700000000000001 109.363 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.95 -42.11 98.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.985 . . . . 1.1100000000000001 109.157 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -41.16 92.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 1.9099999999999999 109.34 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -43.98 97.74 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.207 -1.034 . . . . 1.1699999999999999 108.207 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . 0.563 ' HZ2' ' CD ' ' C' ' 28' ' ' GLU . 19.7 ttmm -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.049 -0.723 . . . . 2.1499999999999999 109.049 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.08 -39.88 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.053 -1.03 . . . . 1.4399999999999999 108.979 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.99 94.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 1.3 108.871 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.95 -35.25 72.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 1.3999999999999999 109.473 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.54 -6.84 21.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 1.6000000000000001 109.684 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.95 -1.81 85.6 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.173 -1.571 . . . . 1.5 109.173 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -82.26 154.4 25.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -1.097 . . . . 4.5499999999999998 109.114 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . 0.467 ' N ' ' CD ' ' D' ' 40' ' ' GLU . 2.9 mp0 -60.1 148.96 76.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.161 -0.962 . . . . 5.6699999999999999 109.138 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.28 136.98 63.8 Favored 'Trans proline' 0 C--N 1.324 -0.729 0 C-N-CA 121.145 1.23 . . . . 6.1200000000000001 109.952 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 118.075 -1.403 . . . . 7.2699999999999996 109.632 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 3' ' ' LYS . 86.3 tttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.08 -0.711 . . . . 7.6600000000000001 109.08 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 3' ' ' LYS . 45.1 tttp 63.02 -62.15 0.13 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.829 -0.544 . . . . 7.5099999999999998 110.108 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 1' ' ' LYS . 79.0 mttt 57.17 153.64 0.07 OUTLIER Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.775 -0.578 . . . . 6.8099999999999996 109.67 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.01 -162.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 121.197 1.264 . . . . 5.1500000000000004 109.897 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.32 147.9 32.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.849 . . . . 4.7000000000000002 109.503 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -79.55 160.9 26.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 2.48 109.323 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.79 154.37 53.02 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.356 -1.498 . . . . 1.0800000000000001 109.356 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.05 140.01 57.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -1.13 . . . . 1.7 109.89 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -103.04 140.38 37.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 1.04 109.461 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.42 139.2 50.6 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.435 -0.791 . . . . 0.65000000000000002 109.49 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.0 p -88.63 156.34 19.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.376 -0.827 . . . . 1.1399999999999999 108.795 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.95 129.96 15.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.922 . . . . 1.0900000000000001 109.081 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -84.49 129.0 34.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 1.3700000000000001 109.097 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.83 119.96 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.486 -0.759 . . . . 1.1499999999999999 109.434 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -77.59 149.69 34.79 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.17 -0.956 . . . . 2.79 110.219 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.66 124.47 0.47 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 110.37 -1.092 . . . . 0.45000000000000001 110.37 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.87 -40.06 91.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -1.072 . . . . 3.1600000000000001 109.552 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.96 -42.41 94.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.199 -0.938 . . . . 2.2200000000000002 108.766 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.65 -40.91 98.52 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 3.54 108.573 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.796 . . . . 0.5 109.64 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.055 -1.028 . . . . 1.6599999999999999 108.293 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.7 ttp -61.55 -49.92 74.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 1.1499999999999999 109.54 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.09 -40.09 94.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.34000000000000002 109.672 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 -59.2 -41.2 87.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.023 -1.048 . . . . 2.9399999999999999 108.932 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.93 -49.21 78.59 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.44 -48.52 80.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 1.0700000000000001 108.665 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.498 -0.751 . . . . 1.22 108.982 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' CD ' ' HZ2' ' B' ' 33' ' ' LYS . 88.3 tt0 -60.05 -41.42 92.27 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 1.72 109.107 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.45 77.61 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 1.0700000000000001 109.335 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.15 -43.07 99.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -0.985 . . . . 1.0800000000000001 109.251 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -40.15 90.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.252 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.01 -49.49 77.46 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.454 -0.943 . . . . 1.1499999999999999 108.454 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.02 -39.92 87.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.451 -0.78 . . . . 2.1400000000000001 109.151 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.365 -0.835 . . . . 1.4299999999999999 109.425 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.0 94.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.427 -0.796 . . . . 1.3 109.746 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.585 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 78.1 mt-30 -80.82 -10.28 59.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.095 -1.003 . . . . 1.4199999999999999 109.733 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -69.94 -36.0 74.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.177 -0.952 . . . . 1.5800000000000001 109.659 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.55 46.53 0.2 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 110.125 -1.19 . . . . 1.54 110.125 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ALA . 87.6 tttt -83.61 136.57 34.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.074 -1.251 . . . . 4.5499999999999998 109.171 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -56.48 150.39 34.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.186 -0.946 . . . . 5.71 108.673 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.13 168.6 0.86 Allowed 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 120.928 1.086 . . . . 6.0899999999999999 109.946 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 117.963 -1.465 . . . . 7.2400000000000002 109.56 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 3' ' ' LYS . 85.9 tttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.397 -0.594 . . . . 7.6699999999999999 109.397 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 3' ' ' LYS . 45.6 tttp 63.57 -61.63 0.15 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.916 -0.49 . . . . 7.46 109.961 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 1' ' ' LYS . 80.0 mttt 56.7 153.87 0.07 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.731 -0.606 . . . . 6.79 109.795 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.07 -162.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 121.199 1.266 . . . . 5.1500000000000004 109.982 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.4 147.95 32.16 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 4.6600000000000001 109.579 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.87 159.88 26.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.314 -0.867 . . . . 2.4700000000000002 109.278 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.07 154.14 51.49 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.456 -1.458 . . . . 1.0600000000000001 109.456 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 139.42 57.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -1.133 . . . . 1.6100000000000001 109.942 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.1 141.22 35.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.473 -0.767 . . . . 0.96999999999999997 109.496 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -131.3 138.2 49.15 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.45 -0.781 . . . . 0.59999999999999998 109.648 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -88.1 155.09 19.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 1.1000000000000001 109.133 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -146.84 129.91 16.42 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 1.1000000000000001 109.155 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.31 128.46 34.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.3600000000000001 109.093 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.37 120.0 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.418 -0.801 . . . . 1.1699999999999999 109.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -77.37 149.67 35.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 2.79 110.086 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.46 126.37 0.54 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.211 -1.156 . . . . 0.47999999999999998 110.211 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -67.57 -39.92 84.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.475 -1.015 . . . . 3.2200000000000002 109.45 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.04 -42.51 94.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.19 -0.943 . . . . 2.21 108.796 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.44 -40.72 97.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.253 -0.904 . . . . 3.5499999999999998 108.621 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.08 -49.87 75.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.445 -0.785 . . . . 0.52000000000000002 109.64 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.6 -49.6 75.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.614 -0.679 . . . . 1.1499999999999999 109.412 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.09 -40.42 95.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.473 -0.767 . . . . 0.33000000000000002 109.504 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -59.29 -41.22 88.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.068 -1.02 . . . . 3.02 109.046 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -49.28 78.26 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.501 -0.926 . . . . 1.75 108.501 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.29 -48.51 81.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 1.0700000000000001 108.738 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.02 -48.52 81.37 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.835 -0.802 . . . . 1.21 108.835 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -41.32 91.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.407 -0.808 . . . . 1.6899999999999999 109.202 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.02 79.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 1.0600000000000001 109.44 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.56 -42.71 99.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 1.0800000000000001 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.99 -40.06 92.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 1.9299999999999999 108.998 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.98 -49.76 76.4 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.521 -0.918 . . . . 1.1399999999999999 108.521 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.433 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 35.2 ttmt -60.0 -40.0 87.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.549 -0.72 . . . . 2.1899999999999999 109.066 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.389 -0.819 . . . . 1.4299999999999999 109.477 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.22 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 1.3100000000000001 109.807 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.585 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 78.2 mt-30 -80.49 -10.6 59.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.3999999999999999 109.798 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' B' ' 39' ' ' LYS . . . -69.34 -36.34 76.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.2 -0.937 . . . . 1.5700000000000001 109.551 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.49 47.07 0.2 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.179 -1.168 . . . . 1.53 110.179 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' B' ' 37' ' ' ALA . 87.5 tttt -83.84 136.77 33.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.053 -1.263 . . . . 4.5800000000000001 109.116 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 150.38 37.03 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.135 -0.978 . . . . 5.6799999999999997 108.637 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.11 170.32 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 120.9 1.067 . . . . 6.0499999999999998 109.909 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.929 -1.484 . . . . 7.2000000000000002 109.562 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' C' ' 3' ' ' LYS . 86.6 tttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.122 -0.696 . . . . 9.2200000000000006 109.122 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' C' ' 3' ' ' LYS . 45.1 tttp 63.81 -61.78 0.16 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.879 -0.513 . . . . 8.5099999999999998 110.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' C' ' 1' ' ' LYS . 78.2 mttt 56.63 154.01 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.729 -0.607 . . . . 7.4199999999999999 109.768 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -58.19 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 121.168 1.246 . . . . 5.0499999999999998 110.005 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.37 148.05 32.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 5.1399999999999997 109.48 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -79.73 159.92 26.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.415 -0.803 . . . . 2.8500000000000001 109.535 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.58 153.83 52.3 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.355 -1.498 . . . . 1.27 109.355 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.98 140.13 56.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.098 -1.236 . . . . 2.1099999999999999 109.956 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.91 141.2 36.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.676 -0.64 . . . . 1.01 109.47 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -131.04 138.58 49.68 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.447 -0.783 . . . . 0.57999999999999996 109.656 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 44.5 p -88.39 155.97 19.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.307 -0.871 . . . . 1.1599999999999999 109.108 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -147.68 129.98 15.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.181 -0.949 . . . . 1.1699999999999999 109.227 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.81 129.05 34.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 1.8100000000000001 109.004 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.7 119.99 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.519 -0.738 . . . . 1.1299999999999999 109.335 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -77.46 149.95 35.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.8199999999999998 109.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.27 125.99 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.515 -1.034 . . . . 0.45000000000000001 110.515 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.13 -40.0 86.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -1.03 . . . . 3.0800000000000001 109.302 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.05 -43.1 95.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.009 . . . . 2.54 108.919 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.8 -40.97 97.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 4.1100000000000003 108.84 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.01 -50.01 75.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.56999999999999995 109.487 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -40.42 89.58 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.17 -1.048 . . . . 1.6599999999999999 108.17 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.5 ttp -61.46 -49.98 74.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.694 -0.629 . . . . 1.29 109.445 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.72 -40.12 93.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.476 -0.765 . . . . 0.40000000000000002 109.671 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -59.31 -41.11 88.25 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.931 -1.105 . . . . 3.8500000000000001 109.053 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.81 80.17 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 1.78 108.504 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 1.1699999999999999 108.605 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.06 -48.83 80.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 1.2 108.852 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.417 ' CD ' ' HZ2' ' D' ' 33' ' ' LYS . 87.9 tt0 -60.02 -41.29 91.86 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.379 -0.825 . . . . 2.1200000000000001 109.057 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.283 -0.885 . . . . 1.0700000000000001 109.363 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -42.66 99.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 1.1399999999999999 109.306 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.83 -40.24 92.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 2.0899999999999999 109.236 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.01 -49.66 76.78 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.497 -0.927 . . . . 1.3799999999999999 108.497 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.507 ' HZ2' ' CD ' ' D' ' 28' ' ' GLU . 34.8 ttmt -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.474 -0.766 . . . . 2.6800000000000002 109.084 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.96 -39.99 87.51 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.357 -0.839 . . . . 1.3400000000000001 109.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.98 93.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.294 -0.878 . . . . 1.3 109.925 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . 0.605 ' NE2' ' NE2' ' D' ' 36' ' ' GLN . 78.2 mt-30 -80.64 -10.16 59.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.005 . . . . 1.8 109.633 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' C' ' 39' ' ' LYS . . . -69.98 -35.48 74.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 1.47 109.553 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.21 46.97 0.25 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.104 -1.198 . . . . 1.6599999999999999 110.104 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' C' ' 37' ' ' ALA . 87.1 tttt -83.99 135.91 34.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.057 -1.26 . . . . 4.7800000000000002 109.022 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.0 150.63 28.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 6.1900000000000004 108.834 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -53.95 169.38 0.63 Allowed 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 121.031 1.154 . . . . 6.1799999999999997 109.988 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.959 -1.467 . . . . 6.9000000000000004 109.476 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' D' ' 3' ' ' LYS . 85.8 tttt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.296 -0.631 . . . . 7.6900000000000004 109.296 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' D' ' 3' ' ' LYS . 44.7 tttp 63.3 -61.85 0.14 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.912 -0.493 . . . . 7.4500000000000002 110.121 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' D' ' 1' ' ' LYS . 76.9 mttt 56.95 154.0 0.07 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.786 -0.571 . . . . 6.8399999999999999 109.724 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.33 -162.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.102 1.202 . . . . 5.1200000000000001 109.847 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.78 147.88 33.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.408 -0.808 . . . . 4.6600000000000001 109.428 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -79.95 160.82 25.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.817 . . . . 2.46 109.315 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.46 154.03 52.93 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.341 -1.503 . . . . 1.0800000000000001 109.341 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 139.97 57.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.284 -1.127 . . . . 1.6699999999999999 109.875 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.98 140.81 36.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.582 -0.699 . . . . 1.01 109.353 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.22 139.6 50.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.515 -0.741 . . . . 0.63 109.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -88.96 155.91 19.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 1.1299999999999999 108.942 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -147.64 129.8 15.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.11 -0.994 . . . . 1.1000000000000001 109.073 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.58 128.71 34.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.3700000000000001 108.995 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.73 120.0 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.406 -0.809 . . . . 1.1499999999999999 109.28 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -77.16 149.87 35.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 2.77 110.035 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.99 125.21 0.43 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.469 -1.052 . . . . 0.42999999999999999 110.469 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -66.33 -40.04 89.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.435 -1.038 . . . . 3.1200000000000001 109.577 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.18 93.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.053 -1.029 . . . . 2.2200000000000002 108.928 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.59 -40.87 98.3 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.676 -0.861 . . . . 3.5 108.676 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -59.96 -50.08 75.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.599 -0.688 . . . . 0.5 109.597 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.29 88.57 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.02 -1.104 . . . . 1.6899999999999999 108.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 60.5 ttp -61.16 -49.95 75.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.41 0.624 . . . . 1.1399999999999999 109.622 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.05 -40.33 95.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.453 -0.779 . . . . 0.32000000000000001 109.565 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 29.3 ttm-85 -59.37 -41.12 88.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.096 -1.002 . . . . 2.96 109.031 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -48.79 80.25 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.386 -0.968 . . . . 1.75 108.386 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.95 -48.5 80.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 1.0800000000000001 108.788 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.97 -48.47 81.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.46 -0.775 . . . . 1.22 108.926 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . 0.507 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 88.4 tt0 -59.98 -41.46 92.06 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.393 -0.817 . . . . 1.73 109.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -50.01 75.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -0.846 . . . . 1.0700000000000001 109.299 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.73 -42.66 97.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.326 -0.859 . . . . 1.1100000000000001 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.03 -40.15 92.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 109.032 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.599 -0.889 . . . . 1.1699999999999999 108.599 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . 0.417 ' HZ2' ' CD ' ' C' ' 28' ' ' GLU . 35.3 ttmt -60.01 -40.03 87.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.466 -0.771 . . . . 2.1499999999999999 109.179 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -39.98 87.87 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.411 -0.805 . . . . 1.4399999999999999 109.421 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.0 93.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.805 . . . . 1.3 109.78 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . 0.605 ' NE2' ' NE2' ' C' ' 36' ' ' GLN . 78.4 mt-30 -80.95 -10.25 59.74 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.041 -1.037 . . . . 1.3999999999999999 109.667 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' D' ' 39' ' ' LYS . . . -69.8 -36.18 75.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.213 -0.93 . . . . 1.6000000000000001 109.44 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.25 46.64 0.18 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.21 -1.156 . . . . 1.5 110.21 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' D' ' 37' ' ' ALA . 87.6 tttt -83.28 139.53 33.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.085 -1.244 . . . . 4.5499999999999998 109.161 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.99 149.99 71.59 Favored Pre-proline 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 5.6699999999999999 108.454 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -53.27 168.44 0.6 Allowed 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 120.982 1.121 . . . . 6.1200000000000001 109.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 118.023 -1.431 . . . . 7.2699999999999996 109.635 179.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.964 -0.754 . . . . 7.6600000000000001 108.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 98.1 mttt 50.06 52.95 13.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.132 -0.98 . . . . 7.5099999999999998 109.461 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 35.9 mttm 88.03 69.96 0.05 OUTLIER Pre-proline 0 N--CA 1.51 2.554 0 C-N-CA 122.615 0.366 . . . . 6.8099999999999996 110.219 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -61.39 -157.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 121.65 1.566 . . . . 5.1500000000000004 109.878 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.12 106.49 13.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.135 -0.978 . . . . 4.7000000000000002 109.346 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -86.16 -104.96 0.06 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.214 -0.929 . . . . 2.48 109.945 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.97 148.93 47.01 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 110.049 -1.221 . . . . 1.0800000000000001 110.049 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 52.5 mp0 -61.76 140.05 58.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.281 -1.129 . . . . 1.7 109.116 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -96.34 141.62 29.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.362 -0.836 . . . . 1.04 109.773 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.69 142.63 48.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.48 -0.762 . . . . 0.65000000000000002 109.636 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.3 p -90.13 154.87 19.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.247 -0.908 . . . . 1.1399999999999999 109.029 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -148.5 132.52 17.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.084 -1.01 . . . . 1.0900000000000001 109.657 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.18 127.52 34.3 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.249 -0.907 . . . . 1.3700000000000001 108.976 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.38 120.06 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.333 -0.855 . . . . 1.1499999999999999 109.803 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -77.32 148.99 35.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.349 -0.844 . . . . 2.79 110.028 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.9 115.97 0.35 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.234 -1.147 . . . . 0.45000000000000001 110.234 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -60.95 -41.51 96.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -1.085 . . . . 3.1600000000000001 109.367 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.061 . . . . 2.2200000000000002 108.832 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.7 ttm180 -62.47 -40.06 95.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.589 -0.893 . . . . 3.54 108.589 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.04 -49.76 76.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.28 -0.888 . . . . 0.5 109.075 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.83 -40.49 88.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.19 -0.944 . . . . 1.6599999999999999 108.532 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 24.5 ttp -63.27 -49.98 71.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.434 -0.791 . . . . 1.1499999999999999 109.074 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.19 -40.34 97.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.347 -0.846 . . . . 0.34000000000000002 109.193 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.8 -44.13 94.11 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.106 -0.996 . . . . 2.9399999999999999 108.833 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.03 87.51 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.311 -0.868 . . . . 1.74 108.993 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.32 -43.6 97.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.197 -0.939 . . . . 1.0700000000000001 109.119 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.348 -0.845 . . . . 1.22 109.497 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -39.94 95.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.51 -0.744 . . . . 1.72 109.624 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.06 79.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 1.0700000000000001 109.618 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.57 -43.48 97.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 1.0800000000000001 109.112 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -40.0 89.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.866 . . . . 1.9099999999999999 109.269 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.02 -52.95 60.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.387 -0.821 . . . . 1.1499999999999999 109.103 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.03 -42.95 95.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.08 -1.013 . . . . 2.1400000000000001 109.423 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 96.1 m-20 -60.1 -39.93 87.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.345 -0.847 . . . . 1.4299999999999999 109.2 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.42 94.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 1.3 109.349 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.67 -11.75 58.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 1.4199999999999999 109.277 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.64 76.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 1.5800000000000001 109.32 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.27 54.3 3.15 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.81 -1.316 . . . . 1.54 109.81 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -87.53 -0.61 57.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.254 -1.144 . . . . 4.5499999999999998 109.514 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.38 150.87 31.1 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 5.71 108.934 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.99 138.86 61.86 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 C-N-CA 121.106 1.204 . . . . 6.0899999999999999 110.036 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.888 -1.507 . . . . 7.2400000000000002 109.476 179.864 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.101 -0.703 . . . . 7.6699999999999999 109.101 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 97.4 mttt 49.95 52.7 14.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.072 -1.018 . . . . 7.46 109.65 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' B' ' 2' ' ' LYS . 36.9 mttm 88.26 70.05 0.05 OUTLIER Pre-proline 0 N--CA 1.509 2.481 0 C-N-CA 122.669 0.388 . . . . 6.79 110.02 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.63 -158.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 121.53 1.487 . . . . 5.1500000000000004 109.794 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 105.82 12.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 4.6600000000000001 109.364 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -85.64 -102.5 0.06 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 2.4700000000000002 110.154 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 147.41 39.71 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.026 -1.23 . . . . 1.0600000000000001 110.026 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 54.1 mp0 -60.05 140.02 57.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -1.115 . . . . 1.6100000000000001 109.155 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.8 141.56 29.86 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.293 -0.879 . . . . 0.96999999999999997 109.885 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -133.51 142.82 48.4 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.338 -0.852 . . . . 0.59999999999999998 109.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.38 156.07 18.93 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 1.1000000000000001 108.967 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -149.66 131.91 15.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.004 -1.06 . . . . 1.1000000000000001 109.625 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.75 127.25 34.02 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.262 -0.898 . . . . 1.3600000000000001 108.93 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.02 120.07 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.35 -0.844 . . . . 1.1699999999999999 109.849 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -77.46 148.93 35.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.28 -0.888 . . . . 2.79 110.15 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 116.13 0.32 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.344 -1.103 . . . . 0.47999999999999998 110.344 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.64 -41.32 94.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.393 -1.063 . . . . 3.2200000000000002 109.693 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.04 -40.38 89.2 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.033 -1.042 . . . . 2.21 108.799 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.8 ttm180 -62.66 -39.93 95.47 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.631 -0.877 . . . . 3.5499999999999998 108.631 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.99 -49.67 76.76 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.894 -0.78 . . . . 0.52000000000000002 108.894 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -41.53 90.99 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 ttp -62.32 -50.3 72.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.363 -0.836 . . . . 1.1499999999999999 109.16 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.97 -41.04 99.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.509 -0.744 . . . . 0.33000000000000002 109.116 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.32 -44.04 92.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.177 -0.952 . . . . 3.02 108.968 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -47.74 84.58 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 1.75 108.825 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.87 -43.21 99.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 1.0700000000000001 109.083 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -50.03 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.28 -0.888 . . . . 1.21 109.243 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -39.95 95.67 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.585 -0.697 . . . . 1.6899999999999999 109.584 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.903 . . . . 1.0600000000000001 109.562 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.69 -43.62 97.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.973 -1.079 . . . . 1.0800000000000001 109.152 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -39.94 89.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 1.9299999999999999 109.468 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.56 -53.25 57.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 1.1399999999999999 109.144 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.13 -42.77 95.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 2.1899999999999999 109.391 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.532 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 1.4299999999999999 109.232 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.52 96.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.338 -0.852 . . . . 1.3100000000000001 109.318 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -81.65 -12.81 58.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.861 . . . . 1.3999999999999999 109.471 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.96 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.228 -0.92 . . . . 1.5700000000000001 109.377 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.56 55.97 3.35 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.716 -1.354 . . . . 1.53 109.716 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -88.99 -0.01 57.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.352 -1.087 . . . . 4.5800000000000001 109.213 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -56.99 150.45 39.21 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 108.705 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.62 139.78 56.82 Favored 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 120.984 1.123 . . . . 6.0499999999999998 109.92 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.066 -1.408 . . . . 7.2000000000000002 109.582 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.489 ' C ' ' H ' ' C' ' 3' ' ' LYS . 71.2 mmtt . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.215 -0.661 . . . . 9.2200000000000006 109.215 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' C' ' 3' ' ' LYS . 96.3 mttt 63.62 -38.87 0.19 Allowed 'General case' 0 C--O 1.188 -2.135 0 CA-C-N 116.394 -0.366 . . . . 8.5099999999999998 110.953 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.558 ' CG ' ' O ' ' C' ' 2' ' ' LYS . 37.5 mttm -174.56 74.06 0.32 Allowed Pre-proline 0 N--CA 1.509 2.509 0 N-CA-C 105.266 -2.124 . . . . 7.4199999999999999 105.266 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.24 -162.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.197 1.265 . . . . 5.0499999999999998 111.256 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.31 105.61 11.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.486 -0.759 . . . . 5.1399999999999997 109.133 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -85.05 -103.89 0.05 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.8500000000000001 109.877 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.4 148.29 43.66 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.964 -1.254 . . . . 1.27 109.964 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 55.3 mp0 -61.06 140.0 57.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.35 -1.088 . . . . 2.1099999999999999 109.132 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.55 140.55 31.02 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.299 -0.876 . . . . 1.01 109.978 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.64 142.06 48.92 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.516 -0.74 . . . . 0.57999999999999996 109.617 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 63.7 p -89.19 153.95 20.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 1.1599999999999999 108.965 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -147.77 132.54 17.96 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.953 -1.092 . . . . 1.1699999999999999 109.598 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.06 127.69 34.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.23 -0.919 . . . . 1.8100000000000001 108.984 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.55 119.96 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.355 -0.84 . . . . 1.1299999999999999 109.771 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -77.62 149.5 34.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.26 -0.9 . . . . 2.8199999999999998 110.096 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 116.08 0.32 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.226 -1.15 . . . . 0.45000000000000001 110.226 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -61.24 -41.31 96.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -1.097 . . . . 3.0800000000000001 109.427 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.91 -40.22 88.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.068 -1.02 . . . . 2.54 108.757 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 44.0 ttm180 -62.7 -39.96 95.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.232 -0.918 . . . . 4.1100000000000003 108.734 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.01 -49.66 76.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.56999999999999995 109.114 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.9 -41.07 90.83 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.296 -1.001 . . . . 1.6599999999999999 108.296 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.3 -50.06 73.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.359 -0.838 . . . . 1.29 109.122 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.26 -41.18 99.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.40000000000000002 109.091 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -59.32 -43.84 92.64 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.224 -0.922 . . . . 3.8500000000000001 108.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.96 -47.81 84.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.303 -0.873 . . . . 1.78 108.826 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.68 -43.55 98.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 1.1699999999999999 109.12 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.13 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.332 -0.855 . . . . 1.2 109.457 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.49 -40.04 95.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.553 -0.717 . . . . 2.1200000000000001 109.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.57 76.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 1.0700000000000001 109.718 -179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.19 -43.83 95.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 1.1399999999999999 108.936 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.29 -40.43 90.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.0899999999999999 109.442 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.52 -53.07 60.24 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.489 -0.757 . . . . 1.3799999999999999 108.999 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.01 -42.94 95.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 2.6800000000000002 109.402 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.502 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 95.3 m-20 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 1.3400000000000001 109.405 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.02 96.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 1.3 109.266 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.82 -12.53 58.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 1.8 109.461 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.97 76.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 1.47 109.406 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 55.28 3.09 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.621 -1.391 . . . . 1.6599999999999999 109.621 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -88.36 -0.22 56.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.086 -1.243 . . . . 4.7800000000000002 109.415 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -56.83 150.86 35.51 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.312 -0.868 . . . . 6.1900000000000004 108.796 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -52.75 139.19 59.19 Favored 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.95 1.1 . . . . 6.1799999999999997 110.001 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.454 -1.458 . . . . 6.9000000000000004 109.454 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.104 -0.702 . . . . 7.6900000000000004 109.104 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' D' ' 3' ' ' LYS . 97.6 mttt 50.02 52.63 14.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.993 -1.067 . . . . 7.4500000000000002 109.478 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' D' ' 2' ' ' LYS . 36.2 mttm 87.9 70.31 0.05 OUTLIER Pre-proline 0 N--CA 1.508 2.474 0 C-N-CA 122.61 0.364 . . . . 6.8399999999999999 110.076 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.59 -157.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.667 1.578 . . . . 5.1200000000000001 109.862 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.42 106.32 13.29 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.156 -0.965 . . . . 4.6600000000000001 109.329 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -85.95 -103.42 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 2.46 109.92 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 148.54 43.73 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.068 -1.213 . . . . 1.0800000000000001 110.068 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 53.7 mp0 -61.32 139.96 58.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -1.119 . . . . 1.6699999999999999 109.15 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.6 141.62 29.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.327 -0.858 . . . . 1.01 109.974 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.61 142.52 48.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.509 -0.745 . . . . 0.63 109.61 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 64.9 p -89.72 154.29 20.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.29 -0.881 . . . . 1.1299999999999999 108.96 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -148.01 132.37 17.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.05 . . . . 1.1000000000000001 109.685 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.93 127.81 34.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 108.921 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.61 120.1 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.362 -0.837 . . . . 1.1499999999999999 109.907 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -77.69 149.44 34.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.77 110.139 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 116.2 0.32 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.262 -1.135 . . . . 0.42999999999999999 110.262 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.08 -41.15 96.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -1.105 . . . . 3.1200000000000001 109.608 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.06 -40.22 88.73 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.935 -1.103 . . . . 2.2200000000000002 108.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.532 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.9 ttm180 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.676 -0.861 . . . . 3.5 108.676 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.09 -49.7 76.6 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.43 -0.793 . . . . 0.5 109.088 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.0 -40.63 89.85 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.371 -0.974 . . . . 1.6899999999999999 108.371 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 25.5 ttp -62.98 -49.96 72.63 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.414 -0.804 . . . . 1.1399999999999999 108.966 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -40.87 98.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.43 -0.794 . . . . 0.32000000000000001 109.101 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -59.3 -44.24 92.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.069 -1.019 . . . . 2.96 108.989 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -47.29 86.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.284 -0.885 . . . . 1.75 108.951 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.29 -43.32 98.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.211 -0.93 . . . . 1.0800000000000001 109.016 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -50.05 75.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.865 . . . . 1.22 109.32 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.0 95.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.54 -0.725 . . . . 1.73 109.631 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.79 -48.88 79.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 1.0700000000000001 109.591 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.85 -42.61 98.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.092 -1.005 . . . . 1.1100000000000001 109.067 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.36 -40.08 92.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.292 -0.88 . . . . 1.9099999999999999 109.191 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -62.74 -52.37 63.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.461 -0.774 . . . . 1.1699999999999999 109.127 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.49 -43.13 97.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 2.1499999999999999 109.445 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.1 m-20 -60.02 -40.11 88.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 1.4399999999999999 109.478 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.18 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.319 -0.863 . . . . 1.3 109.35 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.97 -12.6 58.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.3999999999999999 109.382 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.96 76.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.34 -0.85 . . . . 1.6000000000000001 109.249 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.16 55.2 3.16 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.79 -1.324 . . . . 1.5 109.79 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -88.47 1.81 54.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.224 -1.163 . . . . 4.5499999999999998 109.397 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -59.42 150.0 66.85 Favored Pre-proline 0 N--CA 1.49 1.528 0 N-CA-C 108.649 -0.871 . . . . 5.6699999999999999 108.649 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -51.78 139.27 49.71 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 121.039 1.159 . . . . 6.1200000000000001 109.974 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.105 -1.386 . . . . 7.2699999999999996 109.768 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.5 -0.556 . . . . 7.6600000000000001 109.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.5 tptt 58.47 42.61 20.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 7.5099999999999998 109.634 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 46.61 69.95 2.35 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.078 -1.014 . . . . 6.8099999999999996 110.079 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -61.66 159.15 33.77 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.47 1.447 . . . . 5.1500000000000004 109.406 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.34 112.06 18.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 4.7000000000000002 109.728 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.8 171.9 14.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.572 -0.705 . . . . 2.48 109.772 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.77 151.42 51.87 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.306 -1.518 . . . . 1.0800000000000001 109.306 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.06 139.93 57.15 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.453 -1.027 . . . . 1.7 110.246 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -107.93 146.95 31.7 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.88 -0.785 . . . . 1.04 108.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.11 137.2 42.58 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.209 -0.932 . . . . 0.65000000000000002 109.455 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -87.85 153.93 20.94 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.869 -0.789 . . . . 1.1399999999999999 108.869 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 tp -145.66 133.09 20.72 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.028 -1.045 . . . . 1.0900000000000001 109.53 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -83.63 127.32 33.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.843 . . . . 1.3700000000000001 108.985 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.19 119.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.417 -0.802 . . . . 1.1499999999999999 109.524 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -77.51 143.33 38.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.382 -0.824 . . . . 2.79 110.232 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.28 124.6 1.38 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.204 -1.159 . . . . 0.45000000000000001 110.204 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -67.48 -40.1 85.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -1.125 . . . . 3.1600000000000001 109.448 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.15 93.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 2.2200000000000002 108.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.08 -39.91 94.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.385 -0.822 . . . . 3.54 109.112 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.88 -49.99 75.53 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.5 109.286 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.122 -1.066 . . . . 1.6599999999999999 108.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 53.4 ttp -61.25 -50.72 71.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.48 -0.763 . . . . 1.1499999999999999 109.55 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.7 -40.18 94.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.435 -0.791 . . . . 0.34000000000000002 109.135 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.37 -45.3 91.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.852 . . . . 2.9399999999999999 108.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.04 -48.5 81.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.727 -0.842 . . . . 1.74 108.727 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.87 -45.11 95.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.201 -0.937 . . . . 1.0700000000000001 108.767 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -60.05 -49.8 76.21 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.329 -0.857 . . . . 1.22 109.065 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.37 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.385 -0.822 . . . . 1.72 109.505 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -49.32 78.2 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 1.0700000000000001 109.473 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.77 -41.46 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.133 -0.98 . . . . 1.0800000000000001 109.285 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.31 -43.35 96.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -0.992 . . . . 1.9099999999999999 108.886 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 1.1499999999999999 108.863 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -60.24 -39.84 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.54 -0.725 . . . . 2.1400000000000001 109.134 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.96 -39.96 87.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 1.4299999999999999 109.647 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.38 93.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.971 . . . . 1.3 109.659 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.63 -10.25 59.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.038 -1.039 . . . . 1.4199999999999999 109.553 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -9.77 58.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.258 -0.901 . . . . 1.5800000000000001 109.15 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.11 -78.91 0.77 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.803 -1.319 . . . . 1.54 109.803 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -85.39 143.46 28.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -1.171 . . . . 4.5499999999999998 109.737 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.79 149.42 72.47 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.682 -0.858 . . . . 5.71 108.682 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -54.81 147.77 49.23 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 120.991 1.127 . . . . 6.0899999999999999 109.951 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 CA-C-O 118.005 -1.442 . . . . 7.2400000000000002 109.585 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.237 -0.653 . . . . 7.6699999999999999 109.237 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 58.6 42.95 19.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.506 -0.746 . . . . 7.46 109.502 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 46.11 70.31 2.11 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.111 -0.993 . . . . 6.79 110.142 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -62.02 158.78 37.17 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 121.391 1.394 . . . . 5.1500000000000004 109.391 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 83.8 mt -80.93 111.77 17.7 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 4.6600000000000001 109.782 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.1 169.95 16.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 2.4700000000000002 109.945 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.33 150.65 46.78 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.521 -1.432 . . . . 1.0600000000000001 109.521 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.19 140.02 57.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.275 -1.132 . . . . 1.6100000000000001 110.3 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.49 146.74 31.4 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.96999999999999997 108.954 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -134.75 137.08 43.13 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.206 -0.934 . . . . 0.59999999999999998 109.637 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.24 153.63 21.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 1.1000000000000001 108.822 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -145.29 134.19 22.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.306 -0.871 . . . . 1.1000000000000001 109.485 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -84.69 127.06 33.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.269 -0.895 . . . . 1.3600000000000001 108.926 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.94 119.72 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.372 -0.83 . . . . 1.1699999999999999 109.425 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -76.81 144.03 39.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 2.79 109.917 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.58 1.18 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.459 -1.056 . . . . 0.47999999999999998 110.459 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.57 -40.05 84.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 3.2200000000000002 109.52 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.02 -43.12 95.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 2.21 108.647 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.11 -40.03 92.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.462 -0.774 . . . . 3.5499999999999998 109.102 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.97 -49.85 76.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.464 -0.772 . . . . 0.52000000000000002 109.447 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.61 -41.04 84.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.091 -1.006 . . . . 1.6799999999999999 108.419 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 52.3 ttp -62.28 -49.97 73.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.605 -0.685 . . . . 1.1499999999999999 109.417 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.512 -0.743 . . . . 0.33000000000000002 109.199 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.45 -44.88 92.86 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.367 -0.833 . . . . 3.02 108.862 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -48.96 79.53 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.265 -0.897 . . . . 1.75 108.724 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.32 -45.34 94.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -0.899 . . . . 1.0700000000000001 108.683 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.08 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.278 -0.888 . . . . 1.21 109.096 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 1.6899999999999999 109.483 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.33 78.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 1.0600000000000001 109.352 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.19 -41.91 98.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 1.0800000000000001 109.142 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -43.27 94.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.869 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.14 -46.9 88.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 1.1399999999999999 108.912 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.13 -40.01 88.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.422 -0.799 . . . . 2.1899999999999999 109.088 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.89 -39.87 86.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.346 -0.846 . . . . 1.4299999999999999 109.677 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.25 92.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.084 -1.01 . . . . 1.3100000000000001 109.654 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.75 -10.32 59.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.106 -0.996 . . . . 1.3999999999999999 109.306 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.81 -9.4 58.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.143 -0.973 . . . . 1.5700000000000001 109.129 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.15 -79.53 0.75 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.899 -1.28 . . . . 1.53 109.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -84.95 143.31 29.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.276 -1.132 . . . . 4.5800000000000001 109.821 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.63 149.63 70.29 Favored Pre-proline 0 N--CA 1.489 1.502 0 N-CA-C 108.766 -0.827 . . . . 5.6799999999999997 108.766 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.1 147.73 52.27 Favored 'Trans proline' 0 C--N 1.323 -0.787 0 C-N-CA 120.902 1.068 . . . . 6.0499999999999998 110.131 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.356 -1.497 . . . . 7.2000000000000002 109.356 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.423 0.63 . . . . 9.2200000000000006 109.727 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 tptt 57.76 43.03 22.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 8.5099999999999998 109.56 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 76.3 mttt 46.7 69.99 2.33 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 7.4199999999999999 110.05 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.49 158.75 34.88 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.438 1.426 . . . . 5.0499999999999998 109.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.82 112.52 18.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 5.1399999999999997 109.439 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -81.26 172.34 13.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.51 -0.744 . . . . 2.8500000000000001 109.698 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.16 151.39 51.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.356 -1.498 . . . . 1.27 109.356 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.15 140.14 57.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -1.071 . . . . 2.1099999999999999 110.176 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -108.14 146.52 32.57 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 109.006 -0.739 . . . . 1.01 109.006 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.35 137.15 43.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.2 -0.938 . . . . 0.57999999999999996 109.642 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -87.94 153.36 21.36 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.826 -0.805 . . . . 1.1599999999999999 108.826 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.6 tp -145.17 134.3 22.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.032 . . . . 1.1699999999999999 109.588 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -84.51 126.9 33.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 1.8100000000000001 109.072 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 119.96 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.438 -0.789 . . . . 1.1299999999999999 109.465 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -77.55 143.49 38.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 2.8199999999999998 110.172 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 124.68 1.43 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.158 -1.177 . . . . 0.45000000000000001 110.158 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -67.73 -40.07 84.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.371 -1.076 . . . . 3.0800000000000001 109.391 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.49 94.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.997 . . . . 2.54 109.025 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.74 -39.98 93.5 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.404 -0.81 . . . . 4.1100000000000003 108.985 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.84 -49.57 77.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.56999999999999995 109.39 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.9 -41.53 87.44 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.1 -1.0 . . . . 1.6599999999999999 108.367 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 51.7 ttp -61.58 -50.13 73.84 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.595 -0.691 . . . . 1.29 109.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.3 -40.23 95.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.396 -0.815 . . . . 0.40000000000000002 108.843 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.213 -0.929 . . . . 3.8500000000000001 108.878 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -48.7 80.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.272 -0.892 . . . . 1.78 108.636 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.83 -44.78 96.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.238 -0.914 . . . . 1.1699999999999999 108.762 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.28 -49.71 76.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.256 -0.903 . . . . 1.2 108.927 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.605 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.98 75.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.309 -0.869 . . . . 1.0700000000000001 109.179 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.07 -41.63 96.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.088 -1.008 . . . . 1.1399999999999999 109.36 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.92 95.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 109.034 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.67 -46.94 88.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 1.3799999999999999 108.808 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.14 -39.94 88.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -0.82 . . . . 2.6800000000000002 109.203 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.86 -39.99 87.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 1.3400000000000001 109.648 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.05 92.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 1.3 109.608 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.56 -11.63 59.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 1.8 109.724 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -10.3 59.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.256 -0.903 . . . . 1.47 109.289 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.01 -78.37 0.8 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.916 -1.274 . . . . 1.6599999999999999 109.916 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -85.64 143.06 28.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -1.15 . . . . 4.7800000000000002 109.654 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.6 149.67 69.88 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.205 -0.934 . . . . 6.1900000000000004 108.561 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.76 146.73 53.86 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.024 1.149 . . . . 6.1799999999999997 110.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 118.092 -1.393 . . . . 6.9000000000000004 109.873 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.471 -0.566 . . . . 7.6900000000000004 109.471 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.0 tptt 58.23 43.1 20.87 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 7.4500000000000002 109.543 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 46.31 69.96 2.32 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 6.8399999999999999 110.22 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -61.21 159.46 30.54 Favored 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.476 1.451 . . . . 5.1200000000000001 109.086 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.93 111.95 18.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.093 -1.005 . . . . 4.6600000000000001 109.735 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.95 170.78 15.82 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.533 -0.73 . . . . 2.46 109.893 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.65 150.89 49.49 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.336 -1.506 . . . . 1.0800000000000001 109.336 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.11 140.59 56.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -1.122 . . . . 1.6699999999999999 110.121 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -108.34 146.8 32.45 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.825 -0.806 . . . . 1.01 108.825 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -134.45 137.65 44.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.229 -0.919 . . . . 0.63 109.726 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -88.86 152.67 21.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 1.1299999999999999 108.731 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -144.38 134.18 23.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.192 -0.943 . . . . 1.1000000000000001 109.469 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -84.3 127.28 33.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.356 -0.84 . . . . 1.3700000000000001 108.794 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.13 119.93 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.437 -0.789 . . . . 1.1499999999999999 109.404 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -77.72 143.57 37.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.366 -0.834 . . . . 2.77 110.047 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.86 124.64 1.28 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.11 -1.196 . . . . 0.42999999999999999 110.11 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.47 -40.1 85.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -1.085 . . . . 3.1200000000000001 109.315 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.94 -42.44 94.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 2.2200000000000002 108.86 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.67 -40.04 93.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.369 -0.832 . . . . 3.5 109.05 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.99 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.491 -0.756 . . . . 0.5 109.21 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.53 -41.48 85.62 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.306 -0.998 . . . . 1.6899999999999999 108.306 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 54.3 ttp -62.05 -49.6 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.521 -0.737 . . . . 1.1399999999999999 109.347 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.85 -40.1 96.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.32000000000000001 109.02 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.31 -45.1 92.23 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.269 -0.894 . . . . 2.96 108.721 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -48.29 82.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.749 -0.834 . . . . 1.75 108.749 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.11 -45.01 95.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 1.0800000000000001 108.869 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.19 -49.75 76.4 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.41 -0.806 . . . . 1.22 109.012 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.75 -39.91 90.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 1.73 109.455 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -49.83 76.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.251 -0.906 . . . . 1.0700000000000001 109.379 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.25 -41.96 97.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.031 -1.043 . . . . 1.1100000000000001 109.246 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.95 95.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 1.9099999999999999 108.786 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.06 -47.22 86.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 1.1699999999999999 108.923 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.27 -39.85 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.452 -0.78 . . . . 2.1499999999999999 109.101 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.05 -39.8 87.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 1.4399999999999999 109.345 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.19 95.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 1.3 109.709 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -79.98 -11.23 59.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 1.3999999999999999 109.639 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.19 -9.78 58.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.279 -0.888 . . . . 1.6000000000000001 109.428 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.65 -76.9 0.91 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.905 -1.278 . . . . 1.5 109.905 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -87.07 143.07 27.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 4.5499999999999998 109.499 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.97 149.03 75.48 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 5.6699999999999999 108.936 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -54.34 147.86 44.44 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 121.017 1.145 . . . . 6.1200000000000001 110.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.407 -1.477 . . . . 7.2699999999999996 109.407 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' LYS . 96.0 mttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.315 -0.624 . . . . 7.6600000000000001 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' LYS . 67.7 mttm 50.11 -177.99 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 7.5099999999999998 109.233 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.7 mttp 48.71 59.91 16.33 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 6.8099999999999996 110.309 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.42 153.91 62.68 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 121.176 1.251 . . . . 5.1500000000000004 109.577 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -81.05 126.45 31.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.085 -1.01 . . . . 4.7000000000000002 108.817 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.95 119.34 23.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.141 -0.974 . . . . 2.48 109.543 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.519 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -70.94 147.92 43.84 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.049 -1.62 . . . . 1.0800000000000001 109.049 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.26 132.5 53.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.951 -1.323 . . . . 1.7 109.036 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.519 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 98.0 m-85 -109.1 144.23 37.42 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.384 -0.822 . . . . 1.04 109.635 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.47 139.57 44.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.318 -0.864 . . . . 0.65000000000000002 109.461 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.56 150.41 23.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 1.1399999999999999 108.797 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -145.9 131.42 18.76 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.075 -1.016 . . . . 1.0900000000000001 109.789 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.26 129.6 35.02 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.605 -0.887 . . . . 1.3700000000000001 108.605 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.26 121.2 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.41 -0.806 . . . . 1.1499999999999999 110.028 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -75.38 142.51 43.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.481 -0.762 . . . . 2.79 110.423 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.49 119.68 1.37 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.176 -1.17 . . . . 0.45000000000000001 110.176 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -62.5 -42.89 99.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -1.134 . . . . 3.1600000000000001 109.269 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -41.55 92.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.182 -0.949 . . . . 2.2200000000000002 109.068 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.43 -0.794 . . . . 3.54 109.247 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.79 -49.81 76.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.347 -0.846 . . . . 0.5 109.647 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.62 89.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.037 -1.039 . . . . 1.6599999999999999 108.782 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.2 ttp -62.49 -50.0 73.14 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.417 -0.802 . . . . 1.1499999999999999 109.575 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.23 -39.98 94.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.34000000000000002 109.32 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.93 -42.53 94.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 2.9399999999999999 108.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.01 -47.34 86.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.883 -0.784 . . . . 1.74 108.883 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.64 -45.85 92.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 1.0700000000000001 109.656 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.99 -49.88 75.93 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.174 -0.954 . . . . 1.22 109.29 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' CD ' ' HZ2' ' B' ' 33' ' ' LYS . 86.1 tt0 -60.52 -40.13 90.32 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.209 -0.932 . . . . 1.72 110.038 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.13 74.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 1.0700000000000001 110.018 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.5 -41.31 97.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.01 . . . . 1.0800000000000001 109.109 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.067 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.87 -49.95 75.68 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.683 -0.858 . . . . 1.1499999999999999 108.683 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HZ2' ' CD ' ' B' ' 28' ' ' GLU . 35.2 ttmt -59.96 -40.07 87.76 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 2.1400000000000001 109.699 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.21 -39.67 87.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -0.883 . . . . 1.4299999999999999 109.49 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.64 85.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 1.3 109.607 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 78.1 mt-30 -79.6 -10.98 59.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.141 -0.974 . . . . 1.4199999999999999 109.462 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.503 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -70.02 -17.93 63.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.5800000000000001 109.723 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.97 33.54 0.9 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.589 -1.404 . . . . 1.54 109.589 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 37' ' ' ALA . 49.6 tptt -86.09 -74.97 0.4 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -1.222 . . . . 4.5499999999999998 109.222 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' C ' ' H ' ' A' ' 42' ' ' GLY . 32.1 mt-10 -58.97 148.09 71.4 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 5.71 109.121 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -63.63 9.81 0.12 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.08 1.187 . . . . 6.0899999999999999 110.43 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.541 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.411 0 CA-C-O 118.026 -1.43 . . . . 7.2400000000000002 109.591 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.269 0.557 . . . . 7.6699999999999999 109.551 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 1' ' ' LYS . 67.6 mttm 48.81 -177.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.366 -0.834 . . . . 7.46 109.534 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 48.88 60.2 15.97 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.14 -0.975 . . . . 6.79 110.166 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.49 153.9 63.13 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.275 1.317 . . . . 5.1500000000000004 109.682 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.41 125.36 30.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 4.6600000000000001 108.75 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.12 121.75 26.49 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.95 . . . . 2.4700000000000002 109.516 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.523 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -74.07 147.02 37.29 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.13 -1.588 . . . . 1.0600000000000001 109.13 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.22 131.59 51.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -1.193 . . . . 1.6100000000000001 109.083 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 98.1 m-85 -108.16 145.03 34.76 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.553 -0.717 . . . . 0.96999999999999997 109.515 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.99 138.99 42.83 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.338 -0.851 . . . . 0.59999999999999998 109.507 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 70.2 p -88.18 150.75 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.221 -0.925 . . . . 1.1000000000000001 108.805 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -145.92 131.73 19.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.209 -0.932 . . . . 1.1000000000000001 109.705 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.68 129.41 34.95 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.585 -0.894 . . . . 1.3600000000000001 108.585 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 120.49 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.489 -0.757 . . . . 1.1699999999999999 109.986 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -74.92 142.59 43.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 2.79 110.284 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 119.41 1.34 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.256 -1.138 . . . . 0.47999999999999998 110.256 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -62.51 -42.68 99.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -1.155 . . . . 3.2200000000000002 109.232 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.09 -41.48 92.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.108 -0.995 . . . . 2.21 109.042 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -60.04 -40.09 88.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.307 -0.871 . . . . 3.5499999999999998 109.262 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -58.48 -49.61 76.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.435 -0.791 . . . . 0.52000000000000002 109.619 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.89 -41.15 90.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.057 -1.027 . . . . 1.6799999999999999 108.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.16 -50.09 73.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.451 -0.78 . . . . 1.1499999999999999 109.585 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.81 -41.3 97.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -0.821 . . . . 0.33000000000000002 109.419 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.03 -42.31 89.87 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.108 -0.995 . . . . 3.02 108.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.303 -0.873 . . . . 1.75 108.778 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.71 -45.84 92.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.273 -0.892 . . . . 1.0700000000000001 109.54 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.98 -49.2 78.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.038 -1.039 . . . . 1.21 109.47 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.413 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 85.7 tt0 -61.05 -40.26 92.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.413 -0.804 . . . . 1.6899999999999999 109.894 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -50.02 75.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 1.0600000000000001 109.831 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.5 -41.72 97.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.114 -0.991 . . . . 1.0800000000000001 109.276 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.17 -39.44 90.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 1.9299999999999999 109.098 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.88 -49.8 76.26 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.072 -0.714 . . . . 1.1399999999999999 109.072 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.457 ' HZ2' ' CD ' ' A' ' 28' ' ' GLU . 34.8 ttmt -60.7 -40.37 91.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.323 -0.861 . . . . 2.1899999999999999 109.345 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -40.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.327 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.42 85.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.419 -0.801 . . . . 1.3100000000000001 109.551 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 78.1 mt-30 -79.84 -10.55 59.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.17 -0.956 . . . . 1.3999999999999999 109.529 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.517 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -70.13 -18.27 63.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 1.5700000000000001 109.558 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.63 32.59 0.86 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.729 -1.348 . . . . 1.53 109.729 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' B' ' 37' ' ' ALA . 49.5 tptt -85.05 -75.56 0.35 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -1.109 . . . . 4.5800000000000001 109.056 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.527 ' C ' ' H ' ' B' ' 42' ' ' GLY . 30.6 mt-10 -57.74 148.07 59.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.275 -0.891 . . . . 5.6799999999999997 109.278 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -64.14 9.91 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 121.141 1.227 . . . . 6.0499999999999998 110.433 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.493 2.483 0 CA-C-O 118.016 -1.436 . . . . 7.2000000000000002 109.666 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' C' ' 2' ' ' LYS . 95.6 mttt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.586 -0.524 . . . . 9.2200000000000006 109.586 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' C' ' 1' ' ' LYS . 67.8 mttm 49.63 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 8.5099999999999998 109.176 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 63.2 mttp 49.15 60.0 16.22 Favored Pre-proline 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 7.4199999999999999 110.204 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.5 153.12 68.66 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 121.185 1.257 . . . . 5.0499999999999998 109.509 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 77.3 mt -80.59 126.5 31.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 5.1399999999999997 108.889 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -82.1 119.18 23.7 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.044 -1.035 . . . . 2.8500000000000001 109.661 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -70.73 146.74 42.33 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.323 -1.511 . . . . 1.27 109.323 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.05 132.41 53.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.029 -1.277 . . . . 2.1099999999999999 109.084 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 97.9 m-85 -109.49 144.92 37.08 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.474 -0.766 . . . . 1.01 109.57 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.3 138.87 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.327 -0.858 . . . . 0.57999999999999996 109.531 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -88.11 150.23 23.47 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.77 -0.826 . . . . 1.1599999999999999 108.77 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.41 131.49 19.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.177 -0.952 . . . . 1.1699999999999999 109.686 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.38 129.28 34.98 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.549 -0.908 . . . . 1.8100000000000001 108.549 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.06 121.47 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.308 -0.87 . . . . 1.1299999999999999 109.843 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -75.16 143.34 43.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.555 -0.716 . . . . 2.8199999999999998 110.254 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.95 119.71 1.25 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 110.381 -1.088 . . . . 0.45000000000000001 110.381 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -62.68 -43.42 98.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -1.076 . . . . 3.0800000000000001 109.194 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.93 -41.53 91.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.123 -0.986 . . . . 2.54 109.156 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.07 -39.79 87.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.481 -0.762 . . . . 4.1100000000000003 109.39 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -58.83 -49.63 76.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.56999999999999995 109.713 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -41.34 91.49 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.147 -0.971 . . . . 1.6599999999999999 108.681 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.0 -50.04 73.62 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.229 -0.919 . . . . 1.29 109.585 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.73 -40.57 95.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.40000000000000002 109.45 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.39 -42.66 92.24 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.407 -0.808 . . . . 3.8500000000000001 108.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.19 -47.22 86.88 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.327 -0.858 . . . . 1.78 108.842 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.77 -45.32 94.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 1.1699999999999999 109.614 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -60.02 -49.98 75.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 1.2 109.514 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.41 ' CD ' ' HZ2' ' D' ' 33' ' ' LYS . 85.6 tt0 -60.33 -40.52 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.401 -0.812 . . . . 2.1200000000000001 109.946 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -49.83 76.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.089 -1.007 . . . . 1.0700000000000001 109.91 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.64 -41.99 98.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 1.1399999999999999 109.012 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.7 -39.63 89.23 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.89 . . . . 2.0899999999999999 109.142 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.41 -49.94 75.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.376 -0.827 . . . . 1.3799999999999999 109.148 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . 0.542 ' HZ2' ' CD ' ' D' ' 28' ' ' GLU . 35.5 ttmt -60.28 -40.17 89.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 2.6800000000000002 109.326 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.11 -40.01 88.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 1.3400000000000001 109.544 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.55 83.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.194 -0.941 . . . . 1.3 109.694 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . 0.406 ' NE2' ' NE2' ' D' ' 36' ' ' GLN . 78.1 mt-30 -80.08 -10.67 59.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.085 -1.01 . . . . 1.8 109.511 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.524 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -70.21 -19.83 63.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 1.47 109.622 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.63 32.53 0.71 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.629 -1.388 . . . . 1.6599999999999999 109.629 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' C' ' 37' ' ' ALA . 49.0 tptt -84.44 -74.21 0.39 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.212 -1.169 . . . . 4.7800000000000002 109.086 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . 0.53 ' C ' ' H ' ' C' ' 42' ' ' GLY . 35.0 mt-10 -59.1 148.16 72.14 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.108 -0.995 . . . . 6.1900000000000004 109.325 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -63.27 8.88 0.12 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 121.212 1.274 . . . . 6.1799999999999997 110.338 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . 0.53 ' H ' ' C ' ' C' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.405 0 CA-C-O 118.184 -1.342 . . . . 6.9000000000000004 109.904 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 2' ' ' LYS . 95.8 mttt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.128 -0.693 . . . . 7.6900000000000004 109.128 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 1' ' ' LYS . 67.6 mttm 49.47 -177.8 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 7.4500000000000002 109.498 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 63.6 mttp 48.41 60.74 15.08 Favored Pre-proline 0 C--N 1.302 -1.465 0 O-C-N 121.167 -0.958 . . . . 6.8399999999999999 110.204 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -62.09 153.4 69.53 Favored 'Trans proline' 0 C--N 1.318 -1.069 0 C-N-CA 121.35 1.367 . . . . 5.1200000000000001 109.7 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.98 126.96 32.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.07 -1.019 . . . . 4.6600000000000001 108.751 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.0 119.48 24.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 2.46 109.641 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -71.46 146.96 41.49 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.309 -1.516 . . . . 1.0800000000000001 109.309 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.42 132.23 53.25 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.19 -1.182 . . . . 1.6699999999999999 109.021 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . 0.531 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 97.9 m-85 -109.47 144.38 37.78 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.394 -0.816 . . . . 1.01 109.693 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.45 140.46 44.88 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.367 -0.833 . . . . 0.63 109.506 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -89.24 151.04 22.36 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.783 -0.821 . . . . 1.1299999999999999 108.783 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.28 131.84 18.78 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.109 -0.994 . . . . 1.1000000000000001 109.559 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -83.81 129.49 34.94 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.613 -0.884 . . . . 1.3700000000000001 108.613 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.95 121.2 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.559 -0.713 . . . . 1.1499999999999999 109.799 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -75.23 142.99 43.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.588 -0.695 . . . . 2.77 110.078 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.58 119.93 1.2 Allowed Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.573 -1.011 . . . . 0.42999999999999999 110.573 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.433 -1.039 . . . . 3.1200000000000001 109.166 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.26 -40.89 91.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.903 . . . . 2.2200000000000002 108.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 3.5 109.32 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.59 -49.54 77.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.453 -0.78 . . . . 0.5 109.72 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.86 -40.89 90.17 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.955 -1.091 . . . . 1.6899999999999999 108.847 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 65.6 ttp -62.45 -50.07 72.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.402 -0.811 . . . . 1.1399999999999999 109.63 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.88 -40.37 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.472 -0.767 . . . . 0.32000000000000001 109.254 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.46 -42.69 92.56 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.298 -0.876 . . . . 2.96 108.851 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.14 -46.99 87.79 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 1.75 108.816 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -61.56 -46.22 90.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 1.0800000000000001 109.651 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -59.88 -50.09 75.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 1.22 109.428 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . 0.542 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 87.1 tt0 -60.08 -40.28 89.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.26 -0.9 . . . . 1.73 109.798 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.44 73.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.101 -0.999 . . . . 1.0700000000000001 109.903 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.73 -42.69 97.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.161 -0.962 . . . . 1.1100000000000001 109.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.25 -39.87 88.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.085 -1.01 . . . . 1.9099999999999999 109.174 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.858 . . . . 1.1699999999999999 108.873 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . 0.41 ' HZ2' ' CD ' ' C' ' 28' ' ' GLU . 35.5 ttmt -60.08 -40.25 88.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.2 -0.938 . . . . 2.1499999999999999 109.396 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.94 -40.09 87.76 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.133 -0.979 . . . . 1.4399999999999999 109.477 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.99 84.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 1.3 109.676 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . 0.406 ' NE2' ' NE2' ' C' ' 36' ' ' GLN . 78.1 mt-30 -79.79 -10.66 59.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 1.3999999999999999 109.455 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.526 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.92 . . . . 1.6000000000000001 109.742 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.4 33.34 0.81 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.568 -1.413 . . . . 1.5 109.568 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' D' ' 37' ' ' ALA . 49.1 tptt -85.55 -74.12 0.42 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.395 -1.062 . . . . 4.5499999999999998 109.049 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' D' ' 42' ' ' GLY . 29.4 mt-10 -59.86 147.6 78.66 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 5.6699999999999999 109.491 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -62.78 9.62 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 121.13 1.22 . . . . 6.1200000000000001 110.428 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . 0.544 ' H ' ' C ' ' D' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 118.104 -1.387 . . . . 7.2699999999999996 109.646 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.3 tttp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.051 -0.722 . . . . 7.6600000000000001 109.051 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp 52.72 61.7 3.06 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.22 -0.925 . . . . 7.5099999999999998 109.815 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.9 tttp 70.99 72.25 0.28 Allowed Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 121.707 -0.621 . . . . 6.8099999999999996 109.932 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -65.04 -159.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 121.428 1.419 . . . . 5.1500000000000004 109.614 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.05 143.35 37.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 4.7000000000000002 109.29 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.16 -12.9 59.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 2.48 109.36 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 98.08 0.61 Allowed Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.528 -1.429 . . . . 1.0800000000000001 109.528 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.35 139.95 58.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.161 -1.199 . . . . 1.7 109.538 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -100.69 140.99 34.18 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.568 -0.707 . . . . 1.04 109.564 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -130.17 140.28 50.78 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.449 -0.782 . . . . 0.65000000000000002 109.794 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -90.5 157.83 17.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 108.469 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.3 129.32 13.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 1.0900000000000001 109.532 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -84.52 128.68 34.72 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.318 -0.993 . . . . 1.3700000000000001 108.318 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.29 120.04 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.505 0.669 . . . . 1.1499999999999999 109.247 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 15' ' ' ARG . 38.4 ttt-85 -78.54 146.47 34.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.476 -0.765 . . . . 2.79 110.374 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 121.07 0.54 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.597 -1.001 . . . . 0.45000000000000001 110.597 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.15 -39.99 94.48 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.332 -1.099 . . . . 3.1600000000000001 109.157 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.81 -43.68 94.36 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.634 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 42.2 ttm180 -60.24 -40.6 90.81 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.116 -0.99 . . . . 3.54 108.595 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -59.99 -44.95 94.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.5 109.147 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -41.97 93.3 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 108.837 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -63.1 -52.43 62.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.529 -0.915 . . . . 1.1499999999999999 108.529 179.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.42 -39.97 89.34 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.643 -0.873 . . . . 0.34000000000000002 108.643 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' A' ' 24' ' ' ARG . 3.9 ttt-85 -58.27 -49.5 76.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.003 -0.74 . . . . 2.9399999999999999 109.003 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.282 -0.886 . . . . 1.74 109.475 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.23 -40.99 97.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.298 -0.876 . . . . 1.0700000000000001 109.908 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.33 -50.18 74.64 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.949 -1.094 . . . . 1.22 109.394 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.94 -39.78 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.371 -0.83 . . . . 1.72 109.656 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.83 76.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.882 . . . . 1.0700000000000001 109.429 -179.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.13 -43.99 97.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 1.0800000000000001 109.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.12 93.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.307 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -49.45 77.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.815 . . . . 1.1499999999999999 109.317 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -60.44 -48.93 79.6 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.205 -0.934 . . . . 2.1400000000000001 109.545 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.408 -0.807 . . . . 1.4299999999999999 110.191 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 1.3 109.793 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.8 mt-30 -85.64 -6.87 59.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.437 -0.789 . . . . 1.4199999999999999 109.974 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.48 63.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.192 -0.942 . . . . 1.5800000000000001 109.862 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.34 1.23 61.37 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.619 -1.392 . . . . 1.54 109.619 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -86.83 -75.82 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.231 -1.158 . . . . 4.5499999999999998 109.749 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.57 148.86 53.99 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 5.71 109.493 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -56.33 157.69 17.38 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 121.023 1.148 . . . . 6.0899999999999999 109.84 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.124 -1.591 . . . . 7.2400000000000002 109.124 179.829 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.392 0.615 . . . . 7.6699999999999999 109.689 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 59.3 mttp 50.89 60.81 3.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 7.46 110.101 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' B' ' 2' ' ' LYS . 34.7 tttp 72.09 71.9 0.27 Allowed Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.582 -0.699 . . . . 6.79 109.822 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.62 -157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.258 1.306 . . . . 5.1500000000000004 109.626 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.46 142.92 35.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 4.6600000000000001 109.378 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -80.51 -11.08 59.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 2.4700000000000002 109.6 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.91 97.59 0.74 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.261 -1.535 . . . . 1.0600000000000001 109.261 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.6 139.84 58.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -1.143 . . . . 1.6100000000000001 109.449 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -100.64 140.91 34.24 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.212 -0.93 . . . . 0.96999999999999997 109.627 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -130.68 139.37 50.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.415 -0.803 . . . . 0.59999999999999998 109.716 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.82 155.35 19.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.294 -0.879 . . . . 1.1000000000000001 108.71 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.23 129.63 15.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.964 -1.085 . . . . 1.1000000000000001 109.596 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.99 128.36 34.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.348 -0.982 . . . . 1.3600000000000001 108.348 179.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 119.55 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.428 -0.795 . . . . 1.1699999999999999 109.095 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -77.62 146.47 36.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.458 -0.776 . . . . 2.79 110.131 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.97 120.15 0.46 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.813 -0.915 . . . . 0.47999999999999998 110.813 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -61.09 -39.88 91.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.44 -1.035 . . . . 3.2200000000000002 109.059 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.95 -43.68 94.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 2.21 108.749 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.544 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.4 ttm180 -60.4 -40.75 92.06 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.59 -0.893 . . . . 3.5499999999999998 108.59 179.102 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.04 -45.18 93.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.335 -0.853 . . . . 0.52000000000000002 109.251 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -41.32 91.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.679 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 ttm -63.6 -52.1 62.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 1.1499999999999999 108.526 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.07 -40.09 92.34 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.405 -0.961 . . . . 0.33000000000000002 108.405 179.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.461 ' HG2' HH11 ' B' ' 24' ' ' ARG . 3.2 ttt-85 -57.77 -49.89 75.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.537 -0.727 . . . . 3.02 109.117 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.13 -46.92 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 1.75 109.751 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.53 -41.67 98.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 1.0700000000000001 109.729 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -60.12 -50.52 73.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 1.21 109.469 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 24' ' ' ARG . 0.3 OUTLIER -62.6 -39.7 94.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 1.6899999999999999 109.437 179.319 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.15 75.07 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.176 -0.952 . . . . 1.0600000000000001 109.476 -179.29 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.15 -44.65 97.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.991 -1.068 . . . . 1.0800000000000001 109.203 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.33 -39.89 92.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 1.9299999999999999 109.372 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.27 -49.58 77.03 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.423 -0.798 . . . . 1.1399999999999999 109.153 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -60.21 -48.85 79.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.211 -0.931 . . . . 2.1899999999999999 109.438 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.9 m-20 -59.75 -40.2 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 110.205 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.028 -1.045 . . . . 1.3100000000000001 109.984 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.8 mt-30 -85.45 -7.06 59.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.226 -0.921 . . . . 1.3999999999999999 110.057 -179.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.59 63.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 1.5700000000000001 109.698 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 2.07 59.15 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.409 -1.476 . . . . 1.53 109.409 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -87.92 -75.42 0.42 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.246 -1.149 . . . . 4.5800000000000001 109.761 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.92 148.61 58.71 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.303 -0.873 . . . . 5.6799999999999997 109.338 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -55.85 158.22 14.44 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 120.872 1.048 . . . . 6.0499999999999998 109.702 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 117.978 -1.456 . . . . 7.2000000000000002 109.495 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.236 -0.653 . . . . 9.2200000000000006 109.236 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' C' ' 3' ' ' LYS . 59.4 mttp 52.45 60.32 3.89 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.873 . . . . 8.5099999999999998 110.12 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' C' ' 2' ' ' LYS . 34.7 tttp 72.72 71.57 0.26 Allowed Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 121.627 -0.671 . . . . 7.4199999999999999 109.75 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.85 -159.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -1.003 0 C-N-CA 121.336 1.358 . . . . 5.0499999999999998 109.594 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 87.6 mt -77.89 143.79 37.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 5.1399999999999997 109.36 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -80.87 -12.84 59.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.376 -0.828 . . . . 2.8500000000000001 109.422 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.28 98.28 0.64 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.321 -1.512 . . . . 1.27 109.321 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.57 139.9 58.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -1.077 . . . . 2.1099999999999999 109.428 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.74 140.65 34.72 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.864 . . . . 1.01 109.83 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.01 138.23 49.56 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.436 -0.79 . . . . 0.57999999999999996 110.045 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.9 p -88.13 157.56 18.8 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.83 -0.804 . . . . 1.1599999999999999 108.83 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.46 129.15 13.21 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.07 -1.019 . . . . 1.1699999999999999 109.664 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.73 129.15 34.95 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.399 -0.963 . . . . 1.8100000000000001 108.399 178.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.23 119.92 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.459 -0.776 . . . . 1.1299999999999999 109.227 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -78.78 146.39 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.495 -0.753 . . . . 2.8199999999999998 110.231 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.0 120.65 0.48 Allowed Glycine 0 N--CA 1.491 2.345 0 C-N-CA 120.267 -0.968 . . . . 0.45000000000000001 110.787 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -61.28 -39.98 92.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.528 -0.984 . . . . 3.0800000000000001 109.218 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.11 -43.04 95.89 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.642 -0.873 . . . . 2.54 108.642 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -61.14 -40.7 94.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.29 -1.004 . . . . 4.1100000000000003 108.29 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.75 -45.76 91.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.56999999999999995 109.282 179.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.86 -41.97 92.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 1.6599999999999999 108.754 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -62.62 -52.4 63.5 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.422 -0.955 . . . . 1.29 108.422 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -60.55 -40.0 89.96 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.82 -0.807 . . . . 0.40000000000000002 108.82 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' C' ' 24' ' ' ARG . 3.9 ttt-85 -58.6 -48.89 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.497 -0.752 . . . . 3.8500000000000001 109.034 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.19 -48.14 82.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 1.78 109.322 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.65 -41.29 98.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 1.1699999999999999 109.98 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -60.06 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 1.2 109.587 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' C' ' 24' ' ' ARG . 0.4 OUTLIER -63.26 -39.2 93.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 2.1200000000000001 109.545 179.613 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.74 -50.45 73.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.323 -0.86 . . . . 1.0700000000000001 109.459 -179.321 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.76 -45.73 93.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.982 -1.074 . . . . 1.1399999999999999 108.977 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.65 90.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 2.0899999999999999 109.739 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -49.44 77.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 1.3799999999999999 109.248 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.13 -48.82 80.13 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.202 -0.936 . . . . 2.6800000000000002 109.359 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.3 m-20 -59.86 -40.13 87.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.525 -0.734 . . . . 1.3400000000000001 110.428 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.2 95.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.239 -0.913 . . . . 1.3 110.004 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' D' ' 36' ' ' GLN . 27.9 mt-30 -86.12 -7.02 58.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.314 -0.866 . . . . 1.8 109.906 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.04 -21.31 63.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 1.47 109.835 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.02 -0.14 64.27 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.573 -1.411 . . . . 1.6599999999999999 109.573 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.43 -75.0 0.4 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.377 -1.072 . . . . 4.7800000000000002 109.917 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.14 148.4 61.88 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 6.1900000000000004 109.406 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -55.96 158.2 14.85 Favored 'Trans proline' 0 C--O 1.215 -0.635 0 C-N-CA 120.965 1.11 . . . . 6.1799999999999997 109.553 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.996 -1.447 . . . . 6.9000000000000004 109.67 -179.823 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.398 0.618 . . . . 7.6900000000000004 109.497 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 50.6 62.11 2.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 7.4500000000000002 110.061 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 tttp 71.34 71.7 0.29 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.56 -0.712 . . . . 6.8399999999999999 109.957 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.68 -158.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 121.417 1.412 . . . . 5.1200000000000001 109.628 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.57 143.84 36.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.271 -0.893 . . . . 4.6600000000000001 109.13 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -80.9 -12.54 59.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.227 -0.921 . . . . 2.46 109.45 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.84 97.72 0.65 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.418 -1.473 . . . . 1.0800000000000001 109.418 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.67 140.0 58.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.381 -1.07 . . . . 1.6699999999999999 109.579 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.79 141.37 33.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.517 -0.739 . . . . 1.01 109.319 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.48 138.84 49.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.532 -0.73 . . . . 0.63 109.737 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.05 157.48 18.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.193 -0.942 . . . . 1.1299999999999999 108.581 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -148.97 130.06 14.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.899 -1.126 . . . . 1.1000000000000001 109.301 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -85.57 128.31 34.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.13 -0.981 . . . . 1.3700000000000001 108.421 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.12 119.08 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 1.1499999999999999 109.329 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -76.99 146.69 37.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.633 -0.667 . . . . 2.77 110.204 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.01 120.45 0.47 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.82 -0.912 . . . . 0.42999999999999999 110.82 178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -61.81 -39.89 93.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.495 -1.003 . . . . 3.1200000000000001 108.677 178.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -42.67 95.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.872 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.4 ttm180 -61.48 -40.43 94.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.026 -1.046 . . . . 3.5 108.593 179.088 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.98 -45.4 92.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.409 -0.807 . . . . 0.5 109.25 179.326 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -42.23 93.65 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.141 -0.975 . . . . 1.6899999999999999 108.621 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttm -62.12 -52.93 61.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.221 -0.924 . . . . 1.1399999999999999 108.529 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.53 -39.95 89.71 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.487 -0.931 . . . . 0.32000000000000001 108.487 179.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' D' ' 24' ' ' ARG . 3.6 ttt-85 -58.33 -49.57 76.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.401 -0.812 . . . . 2.96 109.076 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -47.72 84.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.322 -0.861 . . . . 1.75 109.548 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 1.0800000000000001 109.983 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -60.29 -49.84 76.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.035 -1.04 . . . . 1.22 109.572 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -39.79 95.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.462 -0.774 . . . . 1.73 109.285 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.24 -50.53 73.66 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.308 -0.87 . . . . 1.0700000000000001 109.339 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.76 -45.22 95.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.122 -0.986 . . . . 1.1100000000000001 108.999 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.56 -40.08 90.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.9099999999999999 110.005 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.2 -49.27 78.31 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.274 -0.891 . . . . 1.1699999999999999 109.379 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -60.4 -48.76 80.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 2.1499999999999999 109.475 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . 0.544 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.516 -0.74 . . . . 1.4399999999999999 110.04 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.81 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.22 -0.925 . . . . 1.3 110.108 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' C' ' 36' ' ' GLN . 27.9 mt-30 -86.24 -6.96 58.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.3999999999999999 109.896 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.87 63.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.204 -0.935 . . . . 1.6000000000000001 109.713 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.17 1.2 60.82 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.576 -1.41 . . . . 1.5 109.576 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -86.97 -74.59 0.43 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.303 -1.116 . . . . 4.5499999999999998 109.816 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.62 148.55 74.36 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.212 -0.93 . . . . 5.6699999999999999 109.429 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.52 157.46 15.12 Favored 'Trans proline' 0 C--O 1.214 -0.712 0 C-N-CA 121.062 1.175 . . . . 6.1200000000000001 109.572 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.382 -1.487 . . . . 7.2699999999999996 109.382 179.781 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' LYS . 99.2 mttt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.522 -0.547 . . . . 7.6600000000000001 109.522 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' LYS . 84.2 tttt 55.78 164.41 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 7.5099999999999998 109.111 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.9 mttt 50.49 62.49 11.57 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.89 -1.131 . . . . 6.8099999999999996 109.763 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -56.34 151.4 44.82 Favored 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.099 1.199 . . . . 5.1500000000000004 109.29 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -80.69 104.16 11.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.008 -1.057 . . . . 4.7000000000000002 109.07 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.27 -170.93 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 2.48 109.361 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.0 164.35 39.94 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.171 -1.572 . . . . 1.0800000000000001 109.171 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 139.92 57.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.357 -1.084 . . . . 1.7 109.979 -179.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.02 148.23 22.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 1.04 109.047 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -135.08 136.43 42.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.289 -0.882 . . . . 0.65000000000000002 109.605 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.88 151.92 22.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.336 -0.853 . . . . 1.1399999999999999 109.035 179.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -146.84 131.15 17.52 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -0.956 . . . . 1.0900000000000001 109.676 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.66 129.99 34.97 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.4 -0.963 . . . . 1.3700000000000001 108.4 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 121.01 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.286 -0.884 . . . . 1.1499999999999999 109.976 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' N ' ' H1 ' ' A' ' 501' ' ' HOH . 69.8 ttt180 -74.57 141.91 44.72 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.306 0.574 . . . . 2.79 110.339 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.37 126.28 0.95 Allowed Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.525 -1.03 . . . . 0.45000000000000001 110.525 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -66.57 -39.96 88.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.411 -1.052 . . . . 3.1600000000000001 109.32 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.06 -43.63 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.168 -0.957 . . . . 2.2200000000000002 109.331 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -60.12 -40.05 88.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 3.54 109.025 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.9 -48.92 79.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.5 109.469 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.31 -43.54 92.64 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.004 -1.06 . . . . 1.6599999999999999 108.724 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 63.6 ttp -61.2 -49.71 76.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.307 -0.871 . . . . 1.1499999999999999 109.178 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.86 -40.48 93.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.34000000000000002 109.189 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.36 -45.21 92.05 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.172 -0.955 . . . . 2.9399999999999999 108.562 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 1.74 108.899 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.01 -42.8 99.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 1.0700000000000001 109.431 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.943 . . . . 1.22 109.696 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.71 -40.17 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.72 109.521 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.04 75.43 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.844 . . . . 1.0700000000000001 109.607 -179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.78 -44.44 96.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.082 -1.012 . . . . 1.0800000000000001 109.229 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.56 -40.52 91.92 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.197 -0.94 . . . . 1.9099999999999999 109.239 179.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.37 -45.07 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.361 -0.837 . . . . 1.1499999999999999 108.865 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.5 -41.11 93.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 2.1400000000000001 109.619 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 88.3 m-20 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.4299999999999999 109.943 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.07 -26.72 67.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 1.3 109.591 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.28 -37.34 71.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 1.4199999999999999 109.735 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -65.32 -39.29 92.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 1.5800000000000001 109.808 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.43 54.38 0.46 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.695 -1.362 . . . . 1.54 109.695 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' ALA . 60.5 pttt -88.0 0.01 56.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.236 -1.155 . . . . 4.5499999999999998 109.283 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.95 148.19 50.82 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 5.71 109.108 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.84 143.14 92.06 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 120.942 1.095 . . . . 6.0899999999999999 109.72 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.421 -1.472 . . . . 7.2400000000000002 109.421 179.966 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' B' ' 2' ' ' LYS . 99.3 mttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 7.6699999999999999 109.408 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' B' ' 1' ' ' LYS . 84.7 tttt 56.06 163.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 7.46 108.946 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 50.66 62.2 12.03 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 120.941 -1.1 . . . . 6.79 109.812 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -56.48 151.32 46.35 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.215 1.277 . . . . 5.1500000000000004 109.43 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.17 104.54 10.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.036 . . . . 4.6600000000000001 109.182 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -83.35 -175.15 5.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.434 -0.791 . . . . 2.4700000000000002 109.393 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.3 163.78 21.01 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.328 -1.509 . . . . 1.0600000000000001 109.328 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 139.95 57.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -1.126 . . . . 1.6100000000000001 109.828 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.22 148.91 21.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.96999999999999997 109.051 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.45 136.95 41.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.856 . . . . 0.59999999999999998 109.617 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.22 151.79 21.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.235 -0.916 . . . . 1.1000000000000001 108.911 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -146.31 131.24 18.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.059 -1.025 . . . . 1.1000000000000001 109.538 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.83 130.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.457 -0.942 . . . . 1.3600000000000001 108.457 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -120.04 121.55 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.357 -0.839 . . . . 1.1699999999999999 110.098 -179.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.441 ' N ' ' H1 ' ' B' ' 503' ' ' HOH . 69.4 ttt180 -74.62 142.52 44.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.688 -0.632 . . . . 2.79 110.309 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.37 128.33 0.93 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.719 -0.952 . . . . 0.47999999999999998 110.719 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -68.1 -40.02 82.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.533 -0.981 . . . . 3.2200000000000002 109.361 179.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.02 -43.28 95.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 2.21 109.149 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.49 -39.94 89.53 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.447 -0.783 . . . . 3.5499999999999998 108.933 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.98 -49.38 77.91 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.522 -0.737 . . . . 0.52000000000000002 109.59 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.15 -43.8 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.702 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.79 -49.31 78.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.444 -0.785 . . . . 1.1499999999999999 109.221 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.66 -40.35 94.61 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.369 -0.832 . . . . 0.33000000000000002 109.029 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.116 -0.99 . . . . 3.02 108.676 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.61 85.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.357 -0.839 . . . . 1.75 109.004 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.85 -42.72 99.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 1.0700000000000001 109.444 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.89 -50.04 75.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 1.21 109.681 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.2 -40.06 96.42 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.904 . . . . 1.6899999999999999 109.447 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.64 -50.02 75.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.35 -0.844 . . . . 1.0600000000000001 109.524 -179.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.7 -44.59 96.64 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.077 -1.015 . . . . 1.0800000000000001 109.247 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.422 ' CG ' HH12 ' D' ' 19' ' ' ARG . 98.2 mt-10 -60.44 -40.94 92.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.206 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.95 -45.44 94.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 1.1399999999999999 108.754 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.32 -40.75 91.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 2.1899999999999999 109.595 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 93.9 m-20 -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -0.856 . . . . 1.4299999999999999 109.957 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.97 67.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 1.3100000000000001 109.524 -179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.64 -38.74 73.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 1.3999999999999999 109.664 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' B' ' 39' ' ' LYS . . . -64.77 -37.86 89.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 1.5700000000000001 109.815 -179.53 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.71 53.6 0.5 Allowed Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.794 -1.322 . . . . 1.53 109.794 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' B' ' 37' ' ' ALA . 60.7 pttt -87.97 -0.79 57.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -1.204 . . . . 4.5800000000000001 109.503 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -56.22 147.74 45.16 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 109.116 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.89 142.95 83.6 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 120.969 1.113 . . . . 6.0499999999999998 109.789 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.017 -1.435 . . . . 7.2000000000000002 109.549 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 2' ' ' LYS . 99.4 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.389 -0.597 . . . . 9.2200000000000006 109.389 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 1' ' ' LYS . 84.4 tttt 56.22 164.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.439 -0.788 . . . . 8.5099999999999998 109.015 -179.823 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 50.83 62.83 10.86 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.928 -1.108 . . . . 7.4199999999999999 109.82 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.52 150.22 52.94 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.237 1.291 . . . . 5.0499999999999998 109.438 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 89.8 mt -79.99 103.3 9.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.125 -0.985 . . . . 5.1399999999999997 109.243 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.18 -172.58 4.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.443 -0.786 . . . . 2.8500000000000001 109.449 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.51 164.13 34.57 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.335 -1.506 . . . . 1.27 109.335 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.07 139.91 57.17 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.326 -1.103 . . . . 2.1099999999999999 110.003 -179.207 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.89 148.9 21.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 1.01 109.0 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.71 136.82 41.17 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.346 -0.846 . . . . 0.57999999999999996 109.625 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.21 152.25 21.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 1.1599999999999999 109.015 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.05 131.14 17.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 1.1699999999999999 109.532 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -83.49 130.21 35.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.188 -1.042 . . . . 1.8100000000000001 108.188 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.87 121.09 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.33 -0.857 . . . . 1.1299999999999999 110.033 -179.265 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.416 ' N ' ' H1 ' ' C' ' 502' ' ' HOH . 69.2 ttt180 -74.47 142.13 44.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.699 -0.626 . . . . 2.8199999999999998 110.407 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 126.34 0.87 Allowed Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.45000000000000001 110.648 178.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -66.52 -40.11 89.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -1.065 . . . . 3.0800000000000001 109.216 179.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.01 -43.39 95.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.134 -0.979 . . . . 2.54 109.111 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -60.29 -40.0 88.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.214 -0.928 . . . . 4.1100000000000003 108.974 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.12 -48.58 81.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.474 -0.766 . . . . 0.56999999999999995 109.505 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.1 -42.33 94.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.737 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.9 ttp -62.23 -48.91 77.86 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.394 -0.816 . . . . 1.29 109.176 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.92 -40.54 95.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.475 -0.766 . . . . 0.40000000000000002 109.146 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.24 -44.96 92.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.223 -0.923 . . . . 3.8500000000000001 108.791 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.12 -47.69 84.85 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.239 -0.913 . . . . 1.78 108.871 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.82 -42.18 99.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.292 -0.88 . . . . 1.1699999999999999 109.474 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.97 -49.92 75.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 1.2 109.665 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.46 -39.89 95.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.845 . . . . 2.1200000000000001 109.617 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.57 -50.02 75.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 1.0700000000000001 109.487 -179.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.48 -44.62 96.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 1.1399999999999999 109.34 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.78 -41.01 94.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.893 . . . . 2.0899999999999999 109.159 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.99 -45.34 95.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 1.3799999999999999 108.794 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.06 -40.82 90.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 2.6800000000000002 109.676 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -0.918 . . . . 1.3400000000000001 110.164 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.32 67.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.919 . . . . 1.3 109.591 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.3 -38.87 75.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.233 -0.917 . . . . 1.8 109.537 -179.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' C' ' 39' ' ' LYS . . . -64.19 -39.03 93.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.922 . . . . 1.47 109.8 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.62 54.22 0.33 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.838 -1.305 . . . . 1.6599999999999999 109.838 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' C' ' 37' ' ' ALA . 62.3 pttt -88.27 -1.07 57.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.226 -1.161 . . . . 4.7800000000000002 109.393 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -55.88 147.89 40.79 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.89 . . . . 6.1900000000000004 108.975 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.54 144.53 73.75 Favored 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 120.977 1.118 . . . . 6.1799999999999997 109.853 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.388 -1.485 . . . . 6.9000000000000004 109.388 179.645 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' D' ' 2' ' ' LYS . 99.4 mttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.219 -0.659 . . . . 7.6900000000000004 109.219 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' D' ' 1' ' ' LYS . 83.5 tttt 56.18 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 7.4500000000000002 109.118 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 80.1 mttt 50.44 62.22 12.07 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 120.886 -1.134 . . . . 6.8399999999999999 109.797 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -56.54 151.24 47.24 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.103 1.202 . . . . 5.1200000000000001 109.275 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.11 103.92 10.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.114 -0.991 . . . . 4.6600000000000001 109.241 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.55 -172.02 3.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.514 -0.741 . . . . 2.46 109.381 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.74 163.72 36.18 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.371 -1.492 . . . . 1.0800000000000001 109.371 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.0 139.49 57.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -1.006 . . . . 1.6699999999999999 109.994 -179.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -93.51 148.41 22.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 1.01 109.189 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.27 136.21 41.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.355 -0.84 . . . . 0.63 109.685 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -89.01 152.16 21.85 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.298 -0.877 . . . . 1.1299999999999999 108.891 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 tp -146.91 130.95 17.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 1.1000000000000001 109.57 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -83.35 130.12 35.03 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.398 -0.964 . . . . 1.3700000000000001 108.398 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . 0.425 ' CA ' ' H1 ' ' D' ' 504' ' ' HOH . 87.3 mt -120.07 121.35 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 1.1499999999999999 109.909 -179.105 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . 0.524 ' N ' ' H1 ' ' D' ' 504' ' ' HOH . 69.3 ttt180 -74.64 142.25 44.56 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.343 0.592 . . . . 2.77 110.302 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.83 127.74 0.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.616 -0.993 . . . . 0.42999999999999999 110.616 178.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.85 -39.96 83.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -1.033 . . . . 3.1200000000000001 109.233 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.05 -43.68 95.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.112 -0.993 . . . . 2.2200000000000002 109.031 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.0 ttm180 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.276 -0.89 . . . . 3.5 108.93 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.75 -48.68 80.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.403 -0.811 . . . . 0.5 109.678 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.88 -43.28 94.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.051 . . . . 1.6899999999999999 108.839 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -61.21 -49.78 75.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.405 -0.809 . . . . 1.1399999999999999 109.039 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.96 -40.4 93.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.335 -0.853 . . . . 0.32000000000000001 109.163 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.5 -44.8 93.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.474 -0.935 . . . . 2.96 108.474 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.14 -47.27 86.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.914 . . . . 1.75 108.88 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.47 -42.79 98.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.37 -0.831 . . . . 1.0800000000000001 109.478 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -60.01 -50.09 75.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.253 -0.905 . . . . 1.22 109.571 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.05 -40.1 96.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.23 -0.919 . . . . 1.73 109.523 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.4 -49.92 75.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.377 -0.827 . . . . 1.0700000000000001 109.698 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.88 -44.04 97.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 1.1100000000000001 109.295 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -41.1 94.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.017 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.78 -45.35 94.7 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.271 -0.893 . . . . 1.1699999999999999 108.992 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.14 -41.3 92.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.442 -0.786 . . . . 2.1499999999999999 109.575 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 1.4399999999999999 109.994 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.19 67.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 1.3 109.528 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.65 -38.83 73.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 1.3999999999999999 109.716 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' D' ' 39' ' ' LYS . . . -64.4 -38.74 92.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 1.6000000000000001 109.786 -179.503 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.87 54.27 0.37 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.743 -1.343 . . . . 1.5 109.743 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' D' ' 37' ' ' ALA . 60.4 pttt -88.24 0.02 56.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.279 -1.13 . . . . 4.5499999999999998 109.483 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.06 146.87 67.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 5.6699999999999999 109.146 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -54.8 143.14 72.19 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 C-N-CA 121.002 1.135 . . . . 6.1200000000000001 109.722 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.385 -1.486 . . . . 7.2699999999999996 109.385 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . 0.427 ' H1 ' ' N ' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . 0.441 ' H1 ' ' N ' ' B' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . 0.416 ' H1 ' ' N ' ' C' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . 0.524 ' H1 ' ' N ' ' D' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.526 -0.546 . . . . 7.6600000000000001 109.526 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 50.02 -140.01 0.82 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 7.5099999999999998 109.053 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.541 ' C ' ' H ' ' A' ' 5' ' ' LEU . 63.5 tttm 52.18 68.3 3.27 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.943 -1.098 . . . . 6.8099999999999996 109.51 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 6' ' ' ASP . 2.0 Cg_endo -66.66 14.17 0.13 Allowed 'Trans proline' 0 C--N 1.319 -0.991 0 C-N-CA 121.623 1.549 . . . . 5.1500000000000004 110.314 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' H ' ' C ' ' A' ' 3' ' ' LYS . 3.4 mm? -81.15 25.0 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.034 -1.041 . . . . 4.7000000000000002 109.231 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 4' ' ' PRO . 95.7 m-20 -76.76 160.27 29.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.48 109.363 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.78 148.55 51.14 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.256 -1.537 . . . . 1.0800000000000001 109.256 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 140.03 57.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -1.154 . . . . 1.7 110.063 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -98.25 146.65 25.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.5 -0.75 . . . . 1.04 109.759 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -135.75 140.27 44.22 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.395 -0.816 . . . . 0.65000000000000002 109.884 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 p -89.72 151.37 21.88 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.293 -0.879 . . . . 1.1399999999999999 109.19 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.66 131.8 20.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.029 -1.045 . . . . 1.0900000000000001 109.572 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -83.17 128.36 34.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 109.039 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.56 120.51 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.458 -0.776 . . . . 1.1499999999999999 109.71 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.47 143.51 44.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.438 -0.789 . . . . 2.79 110.512 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.1 124.04 0.9 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.821 -0.912 . . . . 0.45000000000000001 110.821 178.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NH1' ' CD2' ' A' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -40.86 96.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -1.102 . . . . 3.1600000000000001 109.605 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -43.1 95.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 2.2200000000000002 109.109 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.67 -40.01 90.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.429 -0.795 . . . . 3.54 109.144 179.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CD2' ' NH1' ' A' ' 17' ' ' ARG . 49.3 t80 -59.61 -49.09 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.346 -0.846 . . . . 0.5 109.298 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.49 -40.03 85.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.168 -0.957 . . . . 1.6599999999999999 108.734 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -63.49 -50.04 71.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.54 -0.725 . . . . 1.1499999999999999 109.509 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.55 -40.01 95.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.34000000000000002 109.243 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -59.25 -43.38 92.42 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.334 -0.854 . . . . 2.9399999999999999 108.84 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.18 -46.58 89.21 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.273 -0.892 . . . . 1.74 108.808 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.85 -43.31 99.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.401 -0.812 . . . . 1.0700000000000001 109.345 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.96 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.22 108.955 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -40.11 94.44 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.487 -0.758 . . . . 1.72 109.499 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.58 77.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.221 -0.924 . . . . 1.0700000000000001 109.582 -179.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -44.04 97.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.004 -1.06 . . . . 1.0800000000000001 109.192 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -0.896 . . . . 1.9099999999999999 109.62 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.04 -48.67 80.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.267 -0.896 . . . . 1.1499999999999999 109.097 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.379 -0.826 . . . . 2.1400000000000001 109.439 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 1.4299999999999999 109.953 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.04 93.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.059 -1.025 . . . . 1.3 109.358 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 79.6 mt-30 -81.68 -10.08 59.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 1.4199999999999999 109.821 -179.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.6 -8.53 55.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.222 -0.924 . . . . 1.5800000000000001 109.993 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.08 -2.77 87.65 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.9 -1.28 . . . . 1.54 109.9 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -86.53 139.37 30.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.142 -1.21 . . . . 4.5499999999999998 109.724 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.36 150.81 31.21 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.174 -0.954 . . . . 5.71 109.195 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.11 154.7 21.59 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.255 1.304 . . . . 6.0899999999999999 110.013 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.489 -1.444 . . . . 7.2400000000000002 109.489 179.974 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.26 -0.644 . . . . 7.6699999999999999 109.26 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 50.01 -139.97 0.83 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 7.46 109.052 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.522 ' C ' ' H ' ' B' ' 5' ' ' LEU . 63.4 tttm 52.14 68.29 3.29 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.055 -1.028 . . . . 6.79 109.582 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' B' ' 6' ' ' ASP . 1.7 Cg_endo -66.55 13.48 0.14 Allowed 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 121.753 1.635 . . . . 5.1500000000000004 110.365 -179.604 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' B' ' 3' ' ' LYS . 3.4 mm? -80.65 24.44 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.003 -1.061 . . . . 4.6600000000000001 109.236 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' B' ' 4' ' ' PRO . 94.8 m-20 -76.64 159.86 29.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.251 -0.905 . . . . 2.4700000000000002 109.401 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.36 148.64 51.12 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.499 -1.441 . . . . 1.0600000000000001 109.499 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.4 140.04 57.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -1.173 . . . . 1.6100000000000001 109.751 -179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -98.14 147.09 24.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.477 -0.764 . . . . 0.96999999999999997 109.53 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -135.82 141.27 44.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.342 -0.849 . . . . 0.59999999999999998 109.736 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -90.85 152.13 20.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 1.1000000000000001 109.022 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -145.21 132.53 20.61 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 1.1000000000000001 109.327 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -83.95 127.92 34.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.337 -0.852 . . . . 1.3600000000000001 109.08 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.02 120.55 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.526 -0.734 . . . . 1.1699999999999999 109.735 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.33 144.15 44.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -0.786 . . . . 2.79 110.409 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 123.95 0.84 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 120.437 -0.887 . . . . 0.47999999999999998 110.924 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.605 ' NH1' ' CD2' ' B' ' 20' ' ' PHE . 27.0 tpt180 -64.99 -40.4 94.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -1.046 . . . . 3.2200000000000002 109.352 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.54 -43.33 97.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.148 -0.97 . . . . 2.21 108.947 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.41 -39.98 89.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.409 -0.807 . . . . 3.5499999999999998 109.009 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.605 ' CD2' ' NH1' ' B' ' 17' ' ' ARG . 49.9 t80 -59.22 -49.14 79.0 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -0.804 . . . . 0.52000000000000002 109.32 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.89 -40.21 87.96 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 1.6799999999999999 108.81 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 62.6 ttp -62.91 -50.13 72.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.356 -0.84 . . . . 1.1499999999999999 109.454 179.498 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.78 -40.34 96.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.33000000000000002 109.229 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -59.02 -43.69 91.6 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 3.02 108.743 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -46.37 89.75 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.316 -0.865 . . . . 1.75 108.992 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -43.06 99.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 1.0700000000000001 109.26 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.265 -0.897 . . . . 1.21 109.161 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -39.94 93.4 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.593 -0.692 . . . . 1.6899999999999999 109.376 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.21 74.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.303 -0.873 . . . . 1.0600000000000001 109.686 -179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.05 -43.87 98.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.09 -1.006 . . . . 1.0800000000000001 109.207 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.46 -40.09 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.268 -0.895 . . . . 1.9299999999999999 109.629 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.08 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 1.1399999999999999 108.938 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 2.1899999999999999 109.451 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.2 m-20 -59.9 -40.05 87.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 1.4299999999999999 109.677 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.06 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.056 -1.028 . . . . 1.3100000000000001 109.641 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.45 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 79.2 mt-30 -81.3 -10.12 59.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 1.3999999999999999 109.784 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 -9.53 58.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.242 -0.911 . . . . 1.5700000000000001 110.235 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.25 -1.38 85.71 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.828 -1.309 . . . . 1.53 109.828 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -87.2 139.85 30.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -1.192 . . . . 4.5800000000000001 109.431 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.05 150.8 37.99 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 5.6799999999999997 109.318 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.98 154.9 20.15 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.175 1.25 . . . . 6.0499999999999998 109.977 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.345 -1.502 . . . . 7.2000000000000002 109.345 -179.852 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.139 -0.689 . . . . 9.2200000000000006 109.139 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 49.89 -139.89 0.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 8.5099999999999998 109.048 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 3' ' ' LYS . . . . . 0.531 ' C ' ' H ' ' C' ' 5' ' ' LEU . 62.8 tttm 52.34 68.22 3.31 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.92 -1.113 . . . . 7.4199999999999999 109.569 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 4' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' C' ' 6' ' ' ASP . 2.4 Cg_endo -66.5 13.77 0.13 Allowed 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 121.703 1.602 . . . . 5.0499999999999998 110.276 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . 0.531 ' H ' ' C ' ' C' ' 3' ' ' LYS . 3.4 mm? -80.64 24.49 0.47 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.112 -0.992 . . . . 5.1399999999999997 109.185 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' C' ' 4' ' ' PRO . 95.9 m-20 -76.66 160.08 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 2.8500000000000001 109.353 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.38 148.47 51.3 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.366 -1.493 . . . . 1.27 109.366 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 140.03 57.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -1.124 . . . . 2.1099999999999999 109.911 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.27 146.77 25.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.488 -0.758 . . . . 1.01 109.695 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.86 140.5 44.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.321 -0.862 . . . . 0.57999999999999996 109.952 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 46.3 p -89.61 151.58 21.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.384 -0.822 . . . . 1.1599999999999999 109.078 179.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.87 131.79 20.24 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 1.1699999999999999 109.193 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -83.16 128.47 34.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.827 . . . . 1.8100000000000001 109.048 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.63 121.4 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.518 -0.739 . . . . 1.1299999999999999 109.82 -179.296 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -75.2 143.08 43.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.44 -0.787 . . . . 2.8199999999999998 110.652 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 124.89 0.98 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.752 -0.939 . . . . 0.45000000000000001 110.752 178.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . 0.578 ' NH1' ' CD2' ' C' ' 20' ' ' PHE . 27.0 tpt180 -65.18 -40.65 94.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.306 -1.114 . . . . 3.0800000000000001 109.385 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -43.52 95.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 2.54 109.109 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.44 -39.98 89.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.313 -0.867 . . . . 4.1100000000000003 109.144 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.578 ' CD2' ' NH1' ' C' ' 17' ' ' ARG . 48.1 t80 -59.37 -48.91 79.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.56999999999999995 109.372 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.91 -40.32 88.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.11 -0.994 . . . . 1.6599999999999999 108.77 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 62.6 ttp -63.03 -50.1 72.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.446 -0.784 . . . . 1.29 109.447 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.32 -40.55 96.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.458 -0.776 . . . . 0.40000000000000002 109.28 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -58.95 -43.4 91.27 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 3.8500000000000001 108.999 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.06 -46.56 89.16 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.402 -0.811 . . . . 1.78 108.855 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 1.1699999999999999 109.404 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.96 -49.93 75.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.286 -0.884 . . . . 1.2 109.054 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.13 -39.93 94.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 2.1200000000000001 109.442 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.22 -50.05 75.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 1.0700000000000001 109.649 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.61 -43.67 98.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.086 -1.009 . . . . 1.1399999999999999 109.054 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.288 -0.883 . . . . 2.0899999999999999 109.746 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.08 -48.97 79.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 1.3799999999999999 109.067 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -59.95 -40.1 87.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.552 -0.717 . . . . 2.6800000000000002 109.319 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.61 -40.0 86.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 1.3400000000000001 109.898 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.19 94.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 1.3 109.619 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 36' ' ' GLN . . . . . 0.431 ' NE2' ' NE2' ' D' ' 36' ' ' GLN . 79.3 mt-30 -81.31 -10.01 59.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 1.8 109.639 -179.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.28 -9.45 58.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 1.47 110.024 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.34 85.09 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.002 -1.239 . . . . 1.6599999999999999 110.002 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -86.62 139.35 30.89 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -1.196 . . . . 4.7800000000000002 109.666 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.57 150.91 32.76 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.208 -0.933 . . . . 6.1900000000000004 109.073 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.14 155.38 19.44 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 C-N-CA 121.093 1.195 . . . . 6.1799999999999997 109.97 179.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 118.015 -1.436 . . . . 6.9000000000000004 109.627 179.884 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.4 -0.593 . . . . 7.6900000000000004 109.4 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 50.02 -140.04 0.82 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 7.4500000000000002 109.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 3' ' ' LYS . . . . . 0.549 ' C ' ' H ' ' D' ' 5' ' ' LEU . 62.9 tttm 52.18 68.05 3.49 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 120.938 -1.101 . . . . 6.8399999999999999 109.558 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 4' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' D' ' 6' ' ' ASP . 2.5 Cg_endo -66.37 14.3 0.12 Allowed 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 121.75 1.633 . . . . 5.1200000000000001 110.228 -179.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 5' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' D' ' 3' ' ' LYS . 3.4 mm? -81.35 24.73 0.53 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 4.6600000000000001 109.207 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' D' ' 4' ' ' PRO . 96.9 m-20 -76.81 160.28 29.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.392 -0.817 . . . . 2.46 109.314 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.62 148.62 51.27 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.366 -1.494 . . . . 1.0800000000000001 109.366 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.16 139.89 57.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.311 -1.111 . . . . 1.6699999999999999 109.936 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -98.05 146.96 25.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.557 -0.715 . . . . 1.01 109.723 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -135.85 141.29 44.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.397 -0.814 . . . . 0.63 109.705 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 46.0 p -91.05 151.85 20.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.368 -0.832 . . . . 1.1299999999999999 108.989 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -144.65 132.5 21.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.235 -0.916 . . . . 1.1000000000000001 109.301 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -83.78 128.0 34.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.169 -0.957 . . . . 1.3700000000000001 108.87 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.12 121.02 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.548 -0.72 . . . . 1.1499999999999999 109.613 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.53 143.53 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.808 . . . . 2.77 110.381 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.17 123.78 0.89 Allowed Glycine 0 N--CA 1.494 2.522 0 O-C-N 121.232 -0.918 . . . . 0.42999999999999999 110.852 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 17' ' ' ARG . . . . . 0.569 ' NH1' ' CD2' ' D' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -41.01 96.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.461 -1.023 . . . . 3.1200000000000001 109.367 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -43.2 95.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.125 -0.984 . . . . 2.2200000000000002 109.245 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 19' ' ' ARG . . . . . 0.461 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.0 ttm180 -60.73 -40.03 90.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.36 -0.837 . . . . 3.5 109.017 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' NH1' ' D' ' 17' ' ' ARG . 45.9 t80 -59.39 -48.96 79.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.344 -0.847 . . . . 0.5 109.235 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.92 -40.28 88.32 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.001 -1.062 . . . . 1.6899999999999999 108.592 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 61.6 ttp -62.81 -50.0 72.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.377 -0.827 . . . . 1.1399999999999999 109.474 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.79 -40.38 97.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.444 -0.785 . . . . 0.32000000000000001 109.305 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -59.23 -43.46 92.36 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 2.96 108.86 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -46.16 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 1.75 108.997 179.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.43 -43.32 97.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.88 . . . . 1.0800000000000001 109.342 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.97 -50.01 75.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.301 -0.874 . . . . 1.22 109.002 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.9 94.09 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.37 -0.831 . . . . 1.73 109.452 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.08 -49.99 75.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.311 -0.868 . . . . 1.0700000000000001 109.582 -179.45 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.49 -43.79 98.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.054 -1.029 . . . . 1.1100000000000001 109.15 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.52 -40.06 90.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.637 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.96 -48.91 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.906 . . . . 1.1699999999999999 109.052 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -59.96 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.397 -0.814 . . . . 2.1499999999999999 109.465 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.87 -40.04 87.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.4399999999999999 109.936 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.01 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 1.3 109.329 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 36' ' ' GLN . . . . . 0.431 ' NE2' ' NE2' ' C' ' 36' ' ' GLN . 78.8 mt-30 -81.87 -9.95 59.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 1.3999999999999999 109.827 -179.643 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.44 -9.78 58.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.985 . . . . 1.6000000000000001 109.998 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.57 -3.13 82.61 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.94 -1.264 . . . . 1.5 109.94 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -85.83 142.64 28.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.125 -1.221 . . . . 4.5499999999999998 109.596 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -59.96 150.33 69.92 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.835 . . . . 5.6699999999999999 108.966 -179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.57 154.29 20.58 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.062 1.175 . . . . 6.1200000000000001 109.844 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.388 -1.485 . . . . 7.2699999999999996 109.388 -179.906 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 108.32 -0.993 . . . . 1.76 108.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -89.47 144.18 26.24 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.494 -0.754 . . . . 0.52000000000000002 109.831 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.3 143.13 49.67 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.742 -0.836 . . . . 0.47999999999999998 108.742 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.54 153.49 17.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.905 -1.146 . . . . 0.23000000000000001 107.905 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -145.62 130.47 18.16 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.218 -0.926 . . . . 0.26000000000000001 109.268 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.22 127.4 33.14 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.357 -0.979 . . . . 0.90000000000000002 108.357 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.97 119.99 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.623 -0.88 . . . . 0.26000000000000001 108.623 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.36 148.41 35.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.687 -0.633 . . . . 2.27 109.35 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 115.57 0.34 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.5 -1.04 . . . . 0.35999999999999999 110.5 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.3 -39.91 88.65 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.456 -1.026 . . . . 2.6299999999999999 109.116 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.31 -46.47 86.08 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.575 -0.898 . . . . 2.1699999999999999 108.575 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.1 -39.82 87.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.646 -0.659 . . . . 2.0099999999999998 109.251 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.17 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.212 -0.93 . . . . 0.28000000000000003 109.792 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.35 -41.02 88.23 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.053 -1.029 . . . . 1.1699999999999999 108.317 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.51 -50.09 70.98 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.534 -0.729 . . . . 0.62 109.741 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.82 -39.96 93.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.425 -0.797 . . . . 0.79000000000000004 109.267 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.06 -43.7 91.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.99 -1.069 . . . . 2.2799999999999998 109.584 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.84 88.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.174 -0.954 . . . . 1.4399999999999999 109.092 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.22 -40.23 95.44 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.29999999999999999 108.357 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -61.58 -56.43 19.97 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.59 0.709 . . . . 0.84999999999999998 109.885 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.5 -39.98 89.7 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.551 -0.718 . . . . 2.1600000000000001 109.388 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.14 81.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.374 -0.829 . . . . 0.20000000000000001 109.371 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 84.7 mt -64.25 -41.99 96.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.28000000000000003 109.572 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.18 -39.78 87.67 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 1.5800000000000001 109.622 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.78 -47.98 83.85 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.259 -0.9 . . . . 0.69999999999999996 109.107 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.57 -40.57 92.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.267 -0.896 . . . . 1.3400000000000001 108.766 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.83 86.5 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.232 0.539 . . . . 1.24 109.65 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.56 95.87 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.528 -0.915 . . . . 0.59999999999999998 108.528 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 2.29 108.851 178.758 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 108.24 -1.022 . . . . 1.75 108.24 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.52 144.17 26.24 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.505 -0.747 . . . . 0.55000000000000004 109.898 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.25 143.09 49.67 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.748 -0.834 . . . . 0.5 108.748 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.5 153.44 17.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.951 -1.129 . . . . 0.23000000000000001 107.951 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.6 tp -145.6 130.56 18.26 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.177 -0.952 . . . . 0.26000000000000001 109.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.28 127.48 33.25 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.29 -1.004 . . . . 0.91000000000000003 108.29 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.4 mt -120.09 120.01 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.646 -0.872 . . . . 0.25 108.646 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.39 148.39 35.55 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.43 -0.582 . . . . 2.2599999999999998 109.43 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.94 115.57 0.34 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.45 -1.06 . . . . 0.34000000000000002 110.45 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.16 -40.06 88.57 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.52 -0.988 . . . . 2.6299999999999999 109.118 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.23 -46.49 85.83 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.576 -0.898 . . . . 2.1400000000000001 108.576 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.09 -39.82 87.48 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.59 -0.693 . . . . 1.99 109.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.18 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.27000000000000002 109.806 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.18 -41.07 87.61 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.029 -1.044 . . . . 1.1799999999999999 108.411 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.59 -49.98 71.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.561 -0.712 . . . . 0.62 109.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.89 93.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.404 -0.81 . . . . 0.78000000000000003 109.311 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.11 -43.67 91.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.053 -1.03 . . . . 2.2999999999999998 109.597 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.05 -46.87 88.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 1.4399999999999999 109.104 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.25 -40.2 95.4 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.295 -1.002 . . . . 0.28000000000000003 108.295 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -61.68 -56.34 20.74 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.572 0.701 . . . . 0.83999999999999997 109.91 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.87 89.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.602 -0.686 . . . . 2.1600000000000001 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.12 81.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.354 -0.841 . . . . 0.20000000000000001 109.352 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' B' ' 34' ' ' ASP . 84.7 mt -64.22 -42.03 96.77 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 0.28999999999999998 109.475 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -60.13 -40.19 88.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.204 -0.935 . . . . 1.5700000000000001 109.38 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.53 -47.98 83.76 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.247 -0.908 . . . . 0.72999999999999998 109.182 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.66 -40.38 91.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.31 -0.869 . . . . 1.3600000000000001 108.741 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 30' ' ' LEU . 1.1 m-20 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.804 -0.56 . . . . 1.25 109.56 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.55 95.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.255 -0.903 . . . . 0.60999999999999999 108.711 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.2799999999999998 108.825 178.778 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 108.316 -0.994 . . . . 1.77 108.316 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.51 144.15 26.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.452 -0.78 . . . . 0.55000000000000004 109.875 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.31 143.12 49.65 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.708 -0.849 . . . . 0.52000000000000002 108.708 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p -94.42 153.5 17.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.928 -1.138 . . . . 0.23999999999999999 107.928 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.7 130.51 18.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.162 -0.961 . . . . 0.27000000000000002 109.217 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.28 127.41 33.18 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.292 -1.003 . . . . 0.92000000000000004 108.292 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -119.98 120.11 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.615 -0.884 . . . . 0.27000000000000002 108.615 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.41 148.35 35.53 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.724 -0.61 . . . . 2.2400000000000002 109.408 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.98 115.57 0.35 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.464 -1.054 . . . . 0.37 110.464 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.37 -39.85 88.69 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.461 -1.023 . . . . 2.6400000000000001 109.073 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.53 86.0 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.587 -0.894 . . . . 2.1600000000000001 108.587 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.573 -0.704 . . . . 2.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.13 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.28000000000000003 109.794 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.34 -40.96 88.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.048 -1.033 . . . . 1.21 108.305 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 47.0 ttp -63.59 -50.0 71.15 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.547 -0.721 . . . . 0.60999999999999999 109.757 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.94 93.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.362 -0.836 . . . . 0.79000000000000004 109.249 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.05 -43.75 91.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.989 -1.07 . . . . 2.27 109.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 1.46 109.052 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.24 -40.2 95.37 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.297 -1.001 . . . . 0.28000000000000003 108.297 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -61.65 -56.38 20.39 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.645 0.736 . . . . 0.82999999999999996 109.852 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.66 -39.78 89.66 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.53 -0.731 . . . . 2.1699999999999999 109.422 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.15 81.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.35 -0.844 . . . . 0.20999999999999999 109.397 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.432 ' O ' ' OD1' ' C' ' 34' ' ' ASP . 84.5 mt -64.39 -41.82 96.45 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.036 -1.04 . . . . 0.28999999999999998 109.505 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.37 -39.82 88.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.252 -0.905 . . . . 1.5600000000000001 109.451 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.75 -47.95 84.0 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 0.68999999999999995 109.115 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.62 -40.45 91.93 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.312 -0.867 . . . . 1.3500000000000001 108.779 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' C' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.91 86.76 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.314 0.578 . . . . 1.24 109.66 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 108.563 -179.834 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 108.361 -0.977 . . . . 1.8 108.361 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -89.55 144.21 26.2 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.528 -0.732 . . . . 0.56999999999999995 109.867 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.29 143.12 49.68 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.751 -0.833 . . . . 0.53000000000000003 108.751 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -94.56 153.46 17.87 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.896 -1.149 . . . . 0.23999999999999999 107.896 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.65 130.56 18.2 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.196 -0.94 . . . . 0.27000000000000002 109.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.29 127.51 33.28 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.255 -1.016 . . . . 0.91000000000000003 108.255 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.04 119.94 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.643 -0.873 . . . . 0.26000000000000001 108.643 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.35 148.33 35.66 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.766 -0.584 . . . . 2.25 109.469 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.04 115.59 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.425 -1.07 . . . . 0.37 110.425 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.32 -39.89 88.67 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.511 -0.994 . . . . 2.6000000000000001 109.117 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.43 86.19 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.599 -0.889 . . . . 2.1400000000000001 108.599 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.05 -39.91 87.63 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.627 -0.671 . . . . 1.99 109.263 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.14 -48.62 80.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.28000000000000003 109.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.37 -41.01 88.29 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.052 -1.03 . . . . 1.1799999999999999 108.321 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.54 -50.08 70.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.629 -0.669 . . . . 0.60999999999999999 109.75 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.81 -40.02 93.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.401 -0.812 . . . . 0.78000000000000003 109.25 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -58.98 -43.69 91.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.037 . . . . 2.27 109.607 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.135 -0.978 . . . . 1.4199999999999999 109.025 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.21 -40.25 95.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.261 -1.014 . . . . 0.29999999999999999 108.261 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -61.61 -56.38 20.48 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.565 0.698 . . . . 0.83999999999999997 109.902 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.5 -40.02 89.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.611 -0.681 . . . . 2.1699999999999999 109.394 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.13 81.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.336 -0.853 . . . . 0.20000000000000001 109.385 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.433 ' O ' ' OD1' ' D' ' 34' ' ' ASP . 84.8 mt -64.2 -42.11 96.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.011 -1.056 . . . . 0.28999999999999998 109.438 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.005 . . . . 1.5700000000000001 109.546 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.66 -48.02 83.64 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.325 -0.86 . . . . 0.69999999999999996 109.076 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.54 -40.49 91.75 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.249 -0.907 . . . . 1.3500000000000001 108.764 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' D' ' 30' ' ' LEU . 1.1 m-20 -59.81 -40.1 87.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.234 0.54 . . . . 1.26 109.576 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.6 95.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.263 -0.898 . . . . 0.58999999999999997 108.578 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 2.2799999999999998 108.784 178.82 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.362 -0.607 . . . . 1.7 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.14 147.4 33.76 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.593 -0.692 . . . . 0.60999999999999999 109.421 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -138.1 137.08 37.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.366 -0.834 . . . . 0.57999999999999996 109.701 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.51 155.02 19.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.41999999999999998 109.067 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.1 tp -147.04 130.75 16.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.101 -0.999 . . . . 0.35999999999999999 109.247 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -84.01 127.1 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.747 -0.835 . . . . 1.3700000000000001 108.747 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.56 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.275 -0.891 . . . . 0.46999999999999997 109.264 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -77.72 145.28 36.65 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.47 -0.769 . . . . 2.1000000000000001 110.443 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 117.18 1.05 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.6 -1.0 . . . . 0.41999999999999998 110.6 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 17' ' ' ARG . 40.5 ttt-85 -65.33 -42.22 93.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.188 -1.183 . . . . 2.6800000000000002 109.296 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.65 -40.19 91.11 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.808 -1.182 . . . . 2.2200000000000002 107.946 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.484 HH22 ' CG ' ' C' ' 34' ' ' ASP . 38.0 ttm180 -61.85 -38.02 86.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 2.77 108.771 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.44 -45.24 92.15 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.018 -1.051 . . . . 0.42999999999999999 109.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.56 -40.79 88.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.115 -0.991 . . . . 1.6599999999999999 109.236 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -60.79 -49.66 76.58 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.704 -0.85 . . . . 0.44 108.704 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.71 -39.61 92.1 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.611 -0.885 . . . . 0.28999999999999998 108.611 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.81 -46.96 83.94 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.534 -0.913 . . . . 2.4399999999999999 108.534 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.24 -47.19 87.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.487 -0.758 . . . . 1.74 109.153 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.06 -45.55 94.29 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.191 -0.943 . . . . 0.29999999999999999 109.089 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.31 -49.73 76.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.339 -0.851 . . . . 1.22 109.343 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.2 -40.88 95.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 1.72 109.758 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.84 -50.2 74.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.92 . . . . 0.27000000000000002 110.11 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.37 -43.48 98.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.128 -0.983 . . . . 0.28999999999999998 109.474 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -40.78 90.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.071 -1.018 . . . . 1.9099999999999999 109.383 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.128 -1.064 . . . . 0.40999999999999998 108.128 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.72 -40.48 92.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.514 -0.741 . . . . 1.5600000000000001 109.113 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.35 -40.45 90.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.39 -0.819 . . . . 1.4299999999999999 109.666 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.73 68.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.492 -0.755 . . . . 0.66000000000000003 109.312 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 C--N 1.303 -1.431 0 O-C-N 121.361 -0.837 . . . . 1.1799999999999999 109.211 179.841 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.247 -0.649 . . . . 1.6100000000000001 109.247 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -110.41 146.16 36.35 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.299 -0.63 . . . . 0.56999999999999995 109.299 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.81 137.93 38.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.39 -0.819 . . . . 0.53000000000000003 109.543 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.5 p -89.38 155.13 19.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.38 109.069 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.34 130.52 16.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.039 -1.038 . . . . 0.35999999999999999 109.312 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -83.95 126.56 33.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 108.801 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.16 120.16 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 121.491 -0.756 . . . . 0.48999999999999999 109.451 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -78.2 144.25 36.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 2.1000000000000001 110.466 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.58 115.92 1.14 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.714 -0.955 . . . . 0.44 110.714 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' B' ' 17' ' ' ARG . 39.5 ttt-85 -63.51 -42.91 98.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -1.185 . . . . 2.7200000000000002 109.163 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.04 -40.94 91.15 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.794 -1.191 . . . . 2.21 107.964 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.48 HH22 ' CG ' ' D' ' 34' ' ' ASP . 38.6 ttm180 -60.67 -38.79 86.1 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.87 -0.789 . . . . 2.79 108.87 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -59.11 -45.39 91.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.397 -0.814 . . . . 0.45000000000000001 110.116 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.91 -40.78 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.017 -1.052 . . . . 1.6799999999999999 109.092 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.1 ttp -60.15 -50.07 75.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.837 -0.801 . . . . 0.42999999999999999 108.837 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.91 -39.49 92.19 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.824 -0.806 . . . . 0.28000000000000003 108.824 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -57.69 -46.92 83.69 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.412 -0.959 . . . . 2.52 108.412 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.89 -46.71 88.45 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.069 -0.715 . . . . 1.75 109.069 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.66 -46.31 90.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.188 -0.945 . . . . 0.31 109.178 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.0 -49.65 76.85 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.195 -0.94 . . . . 1.21 109.285 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.01 -40.33 93.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 1.6899999999999999 109.607 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -60.65 -50.9 71.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.269 -0.894 . . . . 0.27000000000000002 109.76 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.82 -43.5 98.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.061 -1.024 . . . . 0.29999999999999999 109.62 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -40.26 88.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 1.9299999999999999 109.533 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.41 -47.14 87.39 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.998 -1.112 . . . . 0.40000000000000002 107.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.23 -40.69 91.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.376 -0.828 . . . . 1.5900000000000001 108.952 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -60.05 -40.84 90.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 1.4299999999999999 109.566 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.94 67.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.548 -0.72 . . . . 0.65000000000000002 109.34 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.1899999999999999 109.306 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.412 -0.588 . . . . 2.1099999999999999 109.412 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.98 145.75 37.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 0.64000000000000001 109.261 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -136.83 136.91 39.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.405 -0.809 . . . . 0.48999999999999999 109.38 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 69.4 p -88.48 154.85 20.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.839 . . . . 0.46999999999999997 108.947 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -147.04 131.15 17.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.267 -0.895 . . . . 0.41999999999999998 109.185 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.46 127.25 33.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.286 -0.884 . . . . 1.8100000000000001 109.06 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.19 120.07 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.34 -0.85 . . . . 0.41999999999999998 109.583 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.59 144.2 35.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.829 . . . . 2.3500000000000001 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.57 116.27 1.16 Allowed Glycine 0 N--CA 1.501 2.97 0 N-CA-C 110.647 -0.981 . . . . 0.40999999999999998 110.647 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' C' ' 17' ' ' ARG . 41.1 ttt-85 -63.65 -42.98 98.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -1.135 . . . . 2.5899999999999999 109.258 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.14 -41.48 92.79 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.707 -1.22 . . . . 2.54 107.707 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -60.01 -38.43 82.61 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.772 -0.825 . . . . 3.3900000000000001 108.772 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.74 -45.36 92.44 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.327 -0.858 . . . . 0.46999999999999997 110.41 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.55 89.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.051 -1.031 . . . . 1.6599999999999999 109.145 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.68 -49.98 75.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.737 -0.838 . . . . 0.60999999999999999 108.737 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.36 -39.91 92.34 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.86 -0.793 . . . . 0.33000000000000002 108.86 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.27 -47.71 80.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.519 -0.919 . . . . 3.2799999999999998 108.519 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -47.36 86.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 1.78 109.264 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.68 -46.54 89.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 0.38 109.143 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.509 -0.744 . . . . 1.2 109.279 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.42 -41.36 93.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.912 . . . . 2.1200000000000001 109.718 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.29 -50.15 74.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.33 -0.857 . . . . 0.26000000000000001 109.955 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.15 -43.36 99.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.012 . . . . 0.40000000000000002 109.34 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -40.96 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.036 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.87 -46.75 88.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.942 -1.099 . . . . 0.75 108.376 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.45 -40.57 91.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.444 -0.785 . . . . 2.1899999999999999 109.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.484 ' CG ' HH22 ' A' ' 19' ' ' ARG . 81.7 m-20 -59.99 -41.21 91.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 1.3400000000000001 109.246 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 O-C-N 121.417 -0.802 . . . . 0.71999999999999997 109.496 -179.759 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.226 0.536 . . . . 1.6699999999999999 109.577 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.47 146.73 35.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.578 -0.701 . . . . 0.60999999999999999 109.261 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.07 136.71 37.07 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.43 -0.794 . . . . 0.56000000000000005 109.878 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 68.4 p -88.5 154.9 19.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.42999999999999999 109.003 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -146.54 130.17 16.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.094 -1.004 . . . . 0.34999999999999998 109.078 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -83.69 126.5 32.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 108.808 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.2 mt -120.06 120.14 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.419 -0.801 . . . . 0.47999999999999998 109.518 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.49 143.91 36.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.445 -0.784 . . . . 2.0800000000000001 110.449 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 115.84 1.32 Allowed Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.661 -0.976 . . . . 0.40000000000000002 110.661 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' D' ' 17' ' ' ARG . 40.9 ttt-85 -64.08 -43.11 96.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.175 -1.191 . . . . 2.6400000000000001 109.255 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.08 -40.17 88.63 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.558 -1.339 . . . . 2.2200000000000002 107.937 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.86 -38.4 88.13 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.414 -0.958 . . . . 2.7400000000000002 108.414 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.18 -45.39 91.15 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.298 -0.876 . . . . 0.42999999999999999 110.03 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.8 -41.13 90.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.951 -1.093 . . . . 1.6899999999999999 109.193 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.3 ttp -60.04 -49.65 76.8 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.812 -0.81 . . . . 0.42999999999999999 108.812 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.92 -39.59 92.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.27000000000000002 108.856 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.75 -47.07 83.52 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.3 -1.0 . . . . 2.4500000000000002 108.3 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.477 -0.765 . . . . 1.75 109.186 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.47 -45.89 92.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.326 -0.859 . . . . 0.31 108.952 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -60.24 -49.59 77.03 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.518 -0.739 . . . . 1.22 109.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.22 -40.81 95.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 1.73 109.784 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.33 -51.06 71.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.28000000000000003 109.589 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.03 -43.09 99.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.087 -1.008 . . . . 0.31 109.714 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.17 -40.27 89.37 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.922 -1.112 . . . . 1.9099999999999999 109.421 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.32 -47.21 86.99 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.009 -1.108 . . . . 0.42999999999999999 108.009 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.04 -40.64 90.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.42 -0.8 . . . . 1.5700000000000001 109.109 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.48 ' CG ' HH22 ' B' ' 19' ' ' ARG . 84.3 m-20 -60.01 -40.32 88.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.209 -0.932 . . . . 1.4399999999999999 109.795 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -26.45 66.58 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.283 -0.885 . . . . 0.64000000000000001 109.415 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.135 -0.691 . . . . 1.21 109.135 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.206 0.527 . . . . 1.7 109.711 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -97.09 147.06 24.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.331 -0.855 . . . . 0.60999999999999999 109.536 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.71 138.91 43.22 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.35 -0.844 . . . . 0.57999999999999996 109.419 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -89.5 154.34 20.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.41999999999999998 108.985 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.83 133.81 21.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.158 -0.964 . . . . 0.35999999999999999 109.423 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.444 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.8 tt0 -84.88 127.76 34.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.3700000000000001 108.876 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 120.07 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.419 -0.8 . . . . 0.46999999999999997 109.514 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.64 36.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 2.1000000000000001 110.082 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.38 123.25 0.62 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.487 -1.045 . . . . 0.41999999999999998 110.487 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -65.63 -41.58 92.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.397 -1.061 . . . . 2.6800000000000002 109.241 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.52 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.355 -0.84 . . . . 2.2200000000000002 109.279 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.4 ttm180 -60.76 -40.55 92.92 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.234 -0.916 . . . . 2.77 108.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.92 -47.98 83.56 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.42999999999999999 109.046 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -40.7 89.68 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.976 -1.12 . . . . 1.6599999999999999 107.976 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 30.8 ttp -63.2 -50.13 71.51 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.501 -0.749 . . . . 0.44 109.176 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.57 -39.98 93.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.655 -0.868 . . . . 0.28999999999999998 108.655 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -56.21 -47.73 77.82 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.316 -0.994 . . . . 2.4399999999999999 108.316 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.18 -46.74 88.66 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.391 -0.818 . . . . 1.74 108.913 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.6 92.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.162 -0.961 . . . . 0.29999999999999999 109.207 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -60.06 -50.03 75.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.54 -40.03 93.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 1.72 109.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.96 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.213 -0.929 . . . . 0.27000000000000002 109.621 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.01 -44.65 96.27 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 109.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.98 94.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.318 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.32 -49.94 75.58 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.239 -0.913 . . . . 0.40999999999999998 109.059 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.31 -41.05 92.64 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.515 -0.741 . . . . 1.5600000000000001 109.559 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.545 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 97.5 m-20 -60.05 -40.2 88.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 1.4299999999999999 109.596 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.12 97.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.322 -0.861 . . . . 0.66000000000000003 109.656 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.09 -1.006 . . . . 1.1799999999999999 109.495 179.742 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 1.6100000000000001 109.563 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' TYR . . . . . 0.452 ' CB ' HE21 ' D' ' 13' ' ' GLN . 89.9 m-85 -96.7 147.79 23.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.313 -0.867 . . . . 0.56999999999999995 109.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.54 139.45 42.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.315 -0.866 . . . . 0.53000000000000003 109.47 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -89.78 154.42 19.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.219 -0.925 . . . . 0.38 108.915 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 tp -146.24 134.01 21.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 0.35999999999999999 109.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.475 HE21 ' CB ' ' D' ' 9' ' ' TYR . 61.6 tt0 -85.24 127.83 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.812 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.98 119.98 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.365 -0.834 . . . . 0.48999999999999999 109.47 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.65 36.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.1000000000000001 109.969 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.49 123.68 0.65 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.367 -1.093 . . . . 0.44 110.367 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -66.37 -41.43 89.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.325 -1.103 . . . . 2.7200000000000002 109.162 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.14 93.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.335 -0.853 . . . . 2.21 109.183 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.7 ttm180 -61.34 -40.22 93.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 2.79 108.844 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.92 -48.21 82.63 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.354 -0.841 . . . . 0.45000000000000001 109.019 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.7 89.2 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.279 -1.008 . . . . 1.6799999999999999 108.279 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 32.7 ttp -63.42 -49.91 71.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.385 -0.822 . . . . 0.42999999999999999 109.03 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.55 -39.97 93.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.28000000000000003 108.815 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -56.52 -47.75 78.7 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.392 -0.966 . . . . 2.52 108.392 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -46.57 89.09 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.397 -0.815 . . . . 1.75 108.933 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.02 -45.51 93.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 0.31 109.159 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.1 -49.98 75.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 1.21 109.567 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.88 -39.9 93.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.95 -50.07 75.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.27000000000000002 109.623 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.59 -45.25 94.93 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 0.29999999999999999 109.201 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.58 92.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9299999999999999 109.557 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.873 . . . . 0.40000000000000002 109.095 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.14 -41.32 92.45 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.414 -0.804 . . . . 1.5900000000000001 109.452 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.8 m-20 -60.12 -39.92 87.93 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.127 -0.983 . . . . 1.4299999999999999 109.45 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.73 96.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.65000000000000002 109.633 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 1.1899999999999999 109.604 179.727 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.291 0.567 . . . . 2.1099999999999999 109.721 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 9' ' ' TYR . . . . . 0.444 ' CB ' HE21 ' A' ' 13' ' ' GLN . 89.7 m-85 -96.84 147.46 23.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.231 -0.918 . . . . 0.64000000000000001 109.582 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.14 139.43 42.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.368 -0.833 . . . . 0.48999999999999999 109.466 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 153.93 20.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.195 -0.941 . . . . 0.46999999999999997 108.977 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.73 133.8 21.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.14 -0.975 . . . . 0.41999999999999998 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.85 127.9 34.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.391 -0.818 . . . . 1.8100000000000001 108.793 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 120.13 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 121.437 -0.79 . . . . 0.41999999999999998 109.399 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.37 150.02 36.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 2.3500000000000001 109.932 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 123.26 0.55 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.578 -1.009 . . . . 0.40999999999999998 110.578 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.71 -41.8 91.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -1.065 . . . . 2.5899999999999999 109.38 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -42.49 94.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 2.54 109.119 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.545 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 43.7 ttm180 -61.08 -40.38 93.46 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.238 -0.914 . . . . 3.3900000000000001 108.724 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.11 -48.0 83.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.365 -0.834 . . . . 0.46999999999999997 108.837 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.95 -40.62 89.61 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.239 -1.023 . . . . 1.6599999999999999 108.239 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.2 ttp -63.3 -50.08 71.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 0.60999999999999999 109.079 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.44 -39.95 92.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.92 -0.77 . . . . 0.33000000000000002 108.92 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.57 -47.66 79.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.425 -0.954 . . . . 3.2799999999999998 108.425 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.11 -46.95 87.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.376 -0.828 . . . . 1.78 108.793 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.71 -45.6 93.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 0.38 109.166 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.03 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 1.2 109.545 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.69 -39.99 93.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.403 -0.81 . . . . 2.1200000000000001 109.974 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.373 -0.829 . . . . 0.26000000000000001 109.606 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.85 -44.89 95.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.025 -1.047 . . . . 0.40000000000000002 109.225 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.19 -41.2 92.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.465 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.24 -49.89 75.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.75 109.173 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.5 -41.13 93.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 2.1899999999999999 109.494 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.1 m-20 -60.05 -39.89 87.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.389 -0.819 . . . . 1.3400000000000001 109.522 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.265 -0.897 . . . . 0.71999999999999997 109.648 -179.71 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.37 0.605 . . . . 1.6699999999999999 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 9' ' ' TYR . . . . . 0.475 ' CB ' HE21 ' B' ' 13' ' ' GLN . 90.5 m-85 -96.98 147.55 23.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.212 -0.93 . . . . 0.60999999999999999 109.487 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.12 139.61 43.08 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.275 -0.89 . . . . 0.56000000000000005 109.477 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 63.4 p -89.61 154.81 19.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.188 -0.945 . . . . 0.42999999999999999 108.914 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -146.54 132.86 19.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.068 -1.02 . . . . 0.34999999999999998 109.516 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' GLN . . . . . 0.452 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.7 tt0 -84.25 127.76 34.15 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.724 -0.843 . . . . 1.3700000000000001 108.724 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.11 119.94 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.363 -0.836 . . . . 0.47999999999999998 109.485 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.44 149.58 36.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.354 -0.841 . . . . 2.0800000000000001 110.069 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.45 124.01 0.66 Allowed Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.301 -1.12 . . . . 0.40000000000000002 110.301 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.66 -40.93 88.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.261 -1.141 . . . . 2.6400000000000001 109.121 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.79 95.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 2.2200000000000002 109.14 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.4 ttm180 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.281 -0.887 . . . . 2.7400000000000002 108.892 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.07 -47.91 83.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.008 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.94 -40.4 88.84 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.199 -1.037 . . . . 1.6899999999999999 108.199 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 32.1 ttp -63.64 -50.0 71.04 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.22 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.39 -39.9 92.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.821 -0.807 . . . . 0.27000000000000002 108.821 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -56.41 -47.58 78.73 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.307 -0.997 . . . . 2.4500000000000002 108.307 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.22 -46.43 89.78 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.491 -0.756 . . . . 1.75 108.963 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.23 -45.87 91.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.254 -0.904 . . . . 0.31 109.107 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.98 -49.91 75.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.386 -0.821 . . . . 1.22 109.536 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 1.73 109.909 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.97 -50.05 75.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.129 -0.982 . . . . 0.28000000000000003 109.57 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.58 -45.4 94.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.138 -0.976 . . . . 0.31 109.267 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.36 92.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.372 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.08 -49.84 76.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 109.024 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.25 -41.16 92.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.43 -0.794 . . . . 1.5700000000000001 109.4 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.01 -40.09 88.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.353 -0.842 . . . . 1.4399999999999999 109.595 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.267 -0.895 . . . . 0.64000000000000001 109.617 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.123 -0.985 . . . . 1.21 109.466 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.138 -0.69 . . . . 1.7 109.138 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.27 142.65 39.83 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.598 -0.689 . . . . 0.60999999999999999 109.278 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -133.99 140.46 46.73 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.271 -0.893 . . . . 0.57999999999999996 109.698 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.28 155.56 19.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.243 -0.911 . . . . 0.41999999999999998 109.195 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.92 130.04 16.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.056 -1.027 . . . . 0.35999999999999999 109.352 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 128.32 34.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 1.3700000000000001 108.978 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.0 119.97 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.307 -0.871 . . . . 0.46999999999999997 109.648 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -76.98 145.0 38.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.327 -0.858 . . . . 2.1000000000000001 109.912 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.76 112.72 1.86 Allowed Glycine 0 N--CA 1.499 2.833 0 N-CA-C 110.409 -1.076 . . . . 0.41999999999999998 110.409 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -60.07 -49.37 77.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -1.085 . . . . 2.6800000000000002 109.284 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.2200000000000002 108.698 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.614 ' NH1' HD22 ' C' ' 30' ' ' LEU . 10.2 tpp180 -60.15 -38.69 83.89 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.756 . . . . 2.77 109.467 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.04 -42.84 86.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.858 . . . . 0.42999999999999999 109.513 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.59 86.22 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.165 -0.96 . . . . 1.6599999999999999 108.594 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.6 ttp -59.95 -50.85 72.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.464 -0.773 . . . . 0.44 109.69 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -62.99 -40.09 96.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 0.28999999999999998 109.29 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -52.97 -48.78 67.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 2.4399999999999999 109.273 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.431 ' CD ' HH12 ' D' ' 19' ' ' ARG . 84.4 tt0 -60.01 -47.26 86.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.11 -0.994 . . . . 1.74 109.359 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -46.2 89.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.139 -0.975 . . . . 0.29999999999999999 108.916 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.85 -50.16 74.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 1.22 109.618 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.397 -0.815 . . . . 1.72 109.774 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.0 -47.72 82.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.127 -0.983 . . . . 0.27000000000000002 109.317 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' NH1' ' C' ' 19' ' ' ARG . 86.3 mt -61.26 -41.86 97.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.068 -1.02 . . . . 0.28999999999999998 109.288 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.38 -41.01 92.87 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.179 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.18 -49.98 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.40999999999999998 109.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.27 -40.2 95.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 1.5600000000000001 109.443 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.12 -39.93 87.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.406 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.15 95.68 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.372 -0.83 . . . . 0.66000000000000003 109.282 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.199 -0.938 . . . . 1.1799999999999999 109.341 179.753 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.309 -0.626 . . . . 1.6100000000000001 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.69 142.92 40.18 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 109.206 -0.664 . . . . 0.56999999999999995 109.206 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -134.17 140.84 46.8 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.303 -0.873 . . . . 0.53000000000000003 109.686 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -88.74 154.77 20.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.858 . . . . 0.38 109.268 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -146.27 129.98 17.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.062 -1.024 . . . . 0.35999999999999999 109.346 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -85.85 128.21 34.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 1.3600000000000001 109.014 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.4 mt -120.08 120.06 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.389 -0.82 . . . . 0.48999999999999999 109.531 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -76.92 145.08 38.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.923 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.68 112.66 1.83 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.425 -1.07 . . . . 0.44 110.425 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.98 -49.49 77.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.376 -1.073 . . . . 2.7200000000000002 109.436 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.643 -0.873 . . . . 2.21 108.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.642 ' NH1' HD22 ' D' ' 30' ' ' LEU . 9.9 tpp180 -60.02 -39.64 86.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.659 -0.651 . . . . 2.79 109.337 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.32 -42.91 82.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.45000000000000001 109.466 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.92 -39.31 85.02 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.659 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 39.5 ttp -59.94 -50.8 72.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 0.42999999999999999 109.762 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -63.05 -40.05 96.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.28000000000000003 109.334 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -53.19 -48.66 67.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 2.52 109.364 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.521 ' CD ' HH12 ' C' ' 19' ' ' ARG . 83.7 tt0 -60.08 -47.52 85.53 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.13 -0.981 . . . . 1.75 109.194 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -46.31 89.82 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.145 -0.972 . . . . 0.31 108.978 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -60.05 -49.83 76.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.433 -0.792 . . . . 1.21 109.551 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -39.76 87.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.351 -0.843 . . . . 1.6899999999999999 109.914 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.561 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.49 -47.14 85.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.27000000000000002 109.352 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.606 HD22 ' NH1' ' D' ' 19' ' ' ARG . 88.6 mt -61.61 -41.75 97.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.29999999999999999 109.238 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.25 -41.3 92.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.436 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.27 -49.88 75.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.40000000000000002 109.485 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.33 -40.12 95.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 1.5900000000000001 109.353 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.99 87.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.261 -0.9 . . . . 1.4299999999999999 109.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.01 94.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 0.65000000000000002 109.349 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.967 . . . . 1.1899999999999999 109.473 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.255 -0.646 . . . . 2.1099999999999999 109.255 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.43 142.32 40.58 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.563 -0.71 . . . . 0.64000000000000001 109.288 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -133.58 140.69 47.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.304 -0.873 . . . . 0.48999999999999999 109.584 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -88.38 155.7 19.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.406 -0.809 . . . . 0.46999999999999997 109.163 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.77 130.69 17.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.073 -1.017 . . . . 0.41999999999999998 109.446 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -86.49 127.72 34.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 1.8100000000000001 109.132 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 120.0 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.323 -0.861 . . . . 0.41999999999999998 109.539 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -77.05 144.73 38.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.484 -0.76 . . . . 2.3500000000000001 109.792 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.61 112.31 2.01 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.351 -1.1 . . . . 0.40999999999999998 110.351 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -59.98 -49.64 76.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -1.081 . . . . 2.5899999999999999 109.283 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -59.97 -39.92 87.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.235 -0.916 . . . . 2.54 108.767 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.635 ' NH1' HD22 ' A' ' 30' ' ' LEU . 10.2 tpp180 -60.08 -39.16 85.1 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.605 -0.684 . . . . 3.3900000000000001 109.433 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.39 -42.64 82.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.228 -0.92 . . . . 0.46999999999999997 109.672 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.761 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 39.4 ttp -59.98 -50.69 72.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.63 -0.669 . . . . 0.60999999999999999 109.838 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -63.47 -39.94 95.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.898 . . . . 0.33000000000000002 109.374 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -53.23 -48.72 67.96 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 3.2799999999999998 109.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' B' ' 19' ' ' ARG . 83.4 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.092 -1.005 . . . . 1.78 109.322 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -45.97 90.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.1 -1.0 . . . . 0.38 108.992 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.06 -49.94 75.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.2 109.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -39.36 85.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.955 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.605 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.76 -46.93 86.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.044 -1.035 . . . . 0.26000000000000001 109.408 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.614 HD22 ' NH1' ' A' ' 19' ' ' ARG . 87.6 mt -61.87 -41.74 98.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 0.40000000000000002 109.089 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.16 -41.77 93.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.386 -0.821 . . . . 2.0899999999999999 109.484 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' LEU . . . . . 0.57 HD11 HE22 ' D' ' 36' ' ' GLN . 61.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.284 -0.885 . . . . 0.75 109.434 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.9 -40.35 96.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.325 -0.859 . . . . 2.1899999999999999 109.563 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.05 -39.93 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.361 -0.837 . . . . 1.3400000000000001 109.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.323 -0.86 . . . . 0.71999999999999997 109.368 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.281 -0.637 . . . . 1.6699999999999999 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.36 142.88 39.67 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.524 -0.735 . . . . 0.60999999999999999 109.161 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.22 140.23 46.34 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.332 -0.855 . . . . 0.56000000000000005 109.584 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -88.1 155.53 19.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.335 -0.853 . . . . 0.42999999999999999 109.156 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -147.01 130.01 16.33 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.003 -1.061 . . . . 0.34999999999999998 109.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -86.04 128.24 34.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.3700000000000001 109.081 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.98 120.0 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.435 -0.79 . . . . 0.47999999999999998 109.622 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -77.05 145.2 38.08 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.817 . . . . 2.0800000000000001 109.958 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 112.66 1.89 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.582 -1.007 . . . . 0.40000000000000002 110.582 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -60.09 -49.42 77.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.249 -1.148 . . . . 2.6400000000000001 109.387 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.01 -39.86 87.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 2.2200000000000002 108.705 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.606 ' NH1' HD22 ' B' ' 30' ' ' LEU . 10.4 tpp180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.466 -0.771 . . . . 2.7400000000000002 109.47 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.81 -42.91 80.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.933 . . . . 0.42999999999999999 109.61 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.55 85.94 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 108.749 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 39.7 ttp -60.0 -50.51 73.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.42999999999999999 109.819 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.35 -40.0 96.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.27000000000000002 109.311 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -53.15 -48.67 67.76 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 2.4500000000000002 109.297 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' A' ' 19' ' ' ARG . 83.6 tt0 -60.06 -47.3 86.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.096 -1.002 . . . . 1.75 109.287 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.37 -46.2 89.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.178 -0.951 . . . . 0.31 109.104 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.445 -0.785 . . . . 1.22 109.69 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.461 -0.775 . . . . 1.73 109.749 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.605 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.03 -47.21 83.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 0.28000000000000003 109.423 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.642 HD22 ' NH1' ' B' ' 19' ' ' ARG . 87.8 mt -61.58 -42.24 98.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.31 109.131 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -41.43 92.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.322 -0.861 . . . . 1.9099999999999999 109.213 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.01 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.376 -0.827 . . . . 0.42999999999999999 109.476 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.42 -40.01 94.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 1.5700000000000001 109.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.417 -0.802 . . . . 1.4399999999999999 109.351 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.11 95.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.342 -0.849 . . . . 0.64000000000000001 109.397 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' GLN . . . . . 0.57 HE22 HD11 ' C' ' 32' ' ' LEU . 89.5 mt-30 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 1.21 109.355 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.208 0.528 . . . . 1.7 109.639 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.434 ' CB ' HE21 ' C' ' 13' ' ' GLN . 96.5 m-85 -102.56 148.34 25.66 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.456 -0.778 . . . . 0.60999999999999999 109.124 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.63 134.26 44.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.376 -0.827 . . . . 0.57999999999999996 109.698 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -87.97 156.89 19.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.41999999999999998 108.967 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -146.43 129.22 16.24 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 0.35999999999999999 108.962 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -85.04 127.09 34.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.244 -0.91 . . . . 1.3700000000000001 108.802 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.06 120.08 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.516 -0.74 . . . . 0.46999999999999997 110.05 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.5 148.97 38.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.508 -0.745 . . . . 2.1000000000000001 109.949 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 125.29 0.73 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.379 -1.089 . . . . 0.41999999999999998 110.379 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.06 -40.71 78.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -1.129 . . . . 2.6800000000000002 109.409 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -44.03 95.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 2.2200000000000002 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.34 -39.98 89.06 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 2.77 109.065 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -47.4 84.71 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.428 -0.795 . . . . 0.42999999999999999 109.198 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.82 -39.96 86.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.091 -1.005 . . . . 1.6599999999999999 108.536 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 54.9 ttp -62.62 -50.81 69.78 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.402 -0.811 . . . . 0.44 109.704 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.67 -40.96 98.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.202 -0.936 . . . . 0.28999999999999998 109.038 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.74 -41.07 90.12 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.626 -0.879 . . . . 2.4399999999999999 108.626 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.9 75.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.426 -0.796 . . . . 1.74 109.011 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.52 -42.51 99.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.255 -0.903 . . . . 0.29999999999999999 108.893 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.04 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 1.22 109.449 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.93 -39.96 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.286 -0.884 . . . . 1.72 109.774 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.69 -44.77 93.53 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.241 -0.912 . . . . 0.27000000000000002 109.007 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.08 -40.82 98.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.145 -0.972 . . . . 0.28999999999999998 109.033 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -47.44 85.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 1.9099999999999999 108.982 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.05 -49.7 76.64 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.476 -0.935 . . . . 0.40999999999999998 108.476 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -60.09 -41.79 93.25 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.096 -0.705 . . . . 1.5600000000000001 109.096 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.19 -40.04 88.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.746 . . . . 1.4299999999999999 110.314 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.96 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.127 -0.983 . . . . 0.66000000000000003 109.94 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--N 1.302 -1.483 0 O-C-N 121.168 -0.957 . . . . 1.1799999999999999 109.102 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.564 -0.532 . . . . 1.6100000000000001 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.23 148.59 25.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.56999999999999995 109.079 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.8 134.56 44.84 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.325 -0.86 . . . . 0.53000000000000003 109.689 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.1 157.6 18.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.38 108.872 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -146.65 130.04 16.74 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.994 . . . . 0.35999999999999999 108.821 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.434 HE21 ' CB ' ' D' ' 9' ' ' TYR . 59.2 tt0 -85.95 126.88 34.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 108.879 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.01 120.04 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.373 -0.829 . . . . 0.48999999999999999 110.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.53 148.73 38.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.527 -0.733 . . . . 2.1000000000000001 109.987 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 125.3 0.76 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.175 -1.17 . . . . 0.44 110.175 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.29 -40.65 77.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -1.105 . . . . 2.7200000000000002 109.409 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.23 -44.24 95.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 2.21 109.245 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -60.17 -39.98 88.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.41 -0.806 . . . . 2.79 109.075 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.45000000000000001 109.243 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.97 -40.17 88.15 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.982 -1.074 . . . . 1.6799999999999999 108.628 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 57.3 ttp -62.58 -50.07 72.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.354 -0.842 . . . . 0.42999999999999999 109.861 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.4 -40.99 98.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.28000000000000003 108.908 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -59.85 -40.98 90.42 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.606 -0.886 . . . . 2.52 108.606 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -49.58 77.1 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.406 -0.808 . . . . 1.75 108.964 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.86 -42.49 99.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.982 . . . . 0.31 108.849 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.96 -50.05 75.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.35 -0.844 . . . . 1.21 109.57 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.71 -40.01 93.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.679 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.92 -44.79 94.09 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.261 -0.899 . . . . 0.27000000000000002 109.121 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.1 -40.71 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.29999999999999999 108.937 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -47.13 87.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 1.9299999999999999 108.873 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.04 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.435 -0.95 . . . . 0.40000000000000002 108.435 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -60.08 -41.5 92.58 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.07 -0.715 . . . . 1.5900000000000001 109.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.12 -39.9 87.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 110.261 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.99 94.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.65000000000000002 109.863 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.107 -0.996 . . . . 1.1899999999999999 109.209 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.257 0.551 . . . . 2.1099999999999999 109.875 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.01 148.24 25.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.495 -0.753 . . . . 0.64000000000000001 109.324 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.43 134.23 44.84 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.454 -0.779 . . . . 0.48999999999999999 109.671 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.02 157.34 18.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.792 . . . . 0.46999999999999997 108.942 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -146.59 129.42 16.25 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.017 . . . . 0.41999999999999998 109.002 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' GLN . . . . . 0.434 HE21 ' CB ' ' A' ' 9' ' ' TYR . 59.3 tt0 -85.15 126.82 33.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -0.823 . . . . 1.8100000000000001 108.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.08 120.4 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 110.112 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.55 149.6 38.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.487 -0.758 . . . . 2.3500000000000001 109.962 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.61 124.14 0.57 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.495 -1.042 . . . . 0.40999999999999998 110.495 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.76 -41.27 83.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -1.077 . . . . 2.5899999999999999 109.504 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.2 -43.7 95.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.091 -1.006 . . . . 2.54 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.5 -39.89 89.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.294 -0.879 . . . . 3.3900000000000001 109.081 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.05 -47.07 86.56 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.368 -0.832 . . . . 0.46999999999999997 109.28 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.91 -39.95 87.15 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.043 -1.035 . . . . 1.6599999999999999 108.508 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 57.2 ttp -62.84 -50.23 71.78 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.393 -0.817 . . . . 0.60999999999999999 109.797 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.05 -41.13 99.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.33000000000000002 108.924 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.67 -40.93 89.39 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.681 -0.859 . . . . 3.2799999999999998 108.681 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.85 76.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.404 -0.81 . . . . 1.78 108.936 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.67 -42.28 99.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.152 -0.967 . . . . 0.38 108.966 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.08 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.421 -0.799 . . . . 1.2 109.652 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.01 -39.94 93.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.741 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.66 94.11 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.278 -0.889 . . . . 0.26000000000000001 109.034 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.39 -40.61 97.69 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.147 -0.971 . . . . 0.40000000000000002 109.004 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.03 -47.13 87.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 2.0899999999999999 108.982 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' LEU . . . . . 0.557 HD11 HE22 ' D' ' 36' ' ' GLN . 64.8 tp -60.14 -49.86 75.97 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.344 -0.984 . . . . 0.75 108.344 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -60.0 -41.35 91.89 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.014 -0.735 . . . . 2.1899999999999999 109.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.32 -40.08 89.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.476 -0.765 . . . . 1.3400000000000001 110.216 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.143 -0.973 . . . . 0.71999999999999997 109.923 -178.896 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.29 0.567 . . . . 1.6699999999999999 109.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 9' ' ' TYR . . . . . 0.434 ' CB ' HE21 ' B' ' 13' ' ' GLN . 96.4 m-85 -103.42 148.53 25.79 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.388 -0.82 . . . . 0.60999999999999999 109.174 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -132.63 134.75 45.27 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 109.758 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.26 157.1 18.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 108.916 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -146.34 129.6 16.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.103 -0.998 . . . . 0.34999999999999998 108.926 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -85.41 127.18 34.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.9 . . . . 1.3700000000000001 108.806 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.01 120.34 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.421 -0.799 . . . . 0.47999999999999998 110.214 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.76 148.85 38.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.427 -0.796 . . . . 2.0800000000000001 110.054 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.12 125.4 0.69 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.373 -1.091 . . . . 0.40000000000000002 110.373 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' D' ' 21' ' ' GLU . 4.7 tmt_? -68.72 -40.72 79.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -1.047 . . . . 2.6400000000000001 109.475 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.43 -43.7 96.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.123 -0.986 . . . . 2.2200000000000002 109.469 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.44 -39.94 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 2.7400000000000002 109.033 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.82 -47.22 85.56 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.351 -0.843 . . . . 0.42999999999999999 109.27 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' D' ' 17' ' ' ARG . 47.4 mt-10 -59.94 -40.12 87.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.127 -0.983 . . . . 1.6899999999999999 108.519 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 56.4 ttp -62.54 -50.33 71.76 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.392 -0.817 . . . . 0.42999999999999999 109.675 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.25 -40.84 98.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.27000000000000002 108.95 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.88 -40.97 90.52 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.614 -0.884 . . . . 2.4500000000000002 108.614 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -49.82 76.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.438 -0.789 . . . . 1.75 109.0 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -42.7 99.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.31 108.907 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.05 -49.74 76.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 1.22 109.746 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.93 93.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.73 109.746 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.43 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.213 -0.93 . . . . 0.28000000000000003 109.053 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -40.54 97.27 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.31 108.938 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 1.9099999999999999 109.037 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -59.93 -49.93 75.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.426 -0.953 . . . . 0.42999999999999999 108.426 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -60.06 -40.91 91.13 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.214 -0.662 . . . . 1.5700000000000001 109.214 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.66 -40.0 90.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 110.236 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.63 95.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.336 -0.852 . . . . 0.64000000000000001 109.858 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' GLN . . . . . 0.557 HE22 HD11 ' C' ' 32' ' ' LEU . 93.7 mt-30 . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.072 -1.018 . . . . 1.21 109.16 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.542 0.686 . . . . 1.7 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.35 145.56 28.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.505 -0.747 . . . . 0.60999999999999999 109.466 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -135.22 138.99 44.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.197 -0.94 . . . . 0.57999999999999996 109.342 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -90.46 155.77 18.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.422 -0.799 . . . . 0.41999999999999998 109.004 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -145.85 128.33 16.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.022 . . . . 0.35999999999999999 109.039 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.53 126.62 33.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 1.3700000000000001 109.215 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.78 121.79 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.639 -0.663 . . . . 0.46999999999999997 109.345 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -77.22 144.62 38.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.569 -0.707 . . . . 2.1000000000000001 110.075 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.73 125.28 0.93 Allowed Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.263 -0.898 . . . . 0.41999999999999998 111.078 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -65.72 -41.67 91.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -1.09 . . . . 2.6800000000000002 109.236 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.13 -42.96 95.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.753 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 39.1 ttm180 -61.07 -41.95 97.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.407 -0.808 . . . . 2.77 109.051 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.19 -49.26 78.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.42999999999999999 109.143 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.5 -39.35 76.28 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.515 -0.92 . . . . 1.6599999999999999 108.515 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -60.09 -52.15 66.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.344 -0.847 . . . . 0.44 110.475 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -67.2 -39.7 86.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.999 -1.063 . . . . 0.28999999999999998 109.837 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.89 -43.53 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 2.4399999999999999 108.906 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.671 -0.863 . . . . 1.74 108.671 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.52 -42.93 98.43 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.323 -0.861 . . . . 0.29999999999999999 109.261 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.48 -49.68 76.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 1.22 109.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 1.72 109.194 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.99 -48.06 82.95 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.34 -0.85 . . . . 0.27000000000000002 109.351 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.0 -42.92 99.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.115 -0.991 . . . . 0.28999999999999998 109.333 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.13 -40.04 92.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.9099999999999999 109.582 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD22 HD22 ' B' ' 32' ' ' LEU . 3.8 tt -60.13 -51.79 68.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.40999999999999998 109.031 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.67 -40.47 95.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.315 -0.866 . . . . 1.5600000000000001 109.18 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.93 -40.12 87.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 1.4299999999999999 110.114 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.18 88.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.031 -1.043 . . . . 0.66000000000000003 110.113 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.108 -0.995 . . . . 1.1799999999999999 110.001 -179.376 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.547 0.689 . . . . 1.6100000000000001 109.57 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -100.39 143.62 30.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.432 -0.793 . . . . 0.56999999999999995 109.442 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -132.61 139.26 47.69 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.238 -0.914 . . . . 0.53000000000000003 109.494 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 65.8 p -90.79 156.69 17.86 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.842 -0.799 . . . . 0.38 108.842 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -147.63 127.54 13.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.022 . . . . 0.35999999999999999 108.817 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -83.7 128.64 34.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.246 -0.909 . . . . 1.3600000000000001 109.086 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -121.47 120.82 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.659 -0.65 . . . . 0.48999999999999999 109.933 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -75.56 143.59 42.33 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.519 -0.738 . . . . 2.1000000000000001 110.133 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.24 125.44 0.86 Allowed Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.462 -0.875 . . . . 0.44 111.457 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -64.73 -41.42 95.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.575 -0.956 . . . . 2.7200000000000002 109.511 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.1 -42.91 95.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 2.21 108.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.549 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 38.8 ttm180 -61.35 -43.04 99.55 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.57 -0.9 . . . . 2.79 108.57 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.19 -48.7 80.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.52 -0.738 . . . . 0.45000000000000001 109.084 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.66 -39.87 81.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 1.6799999999999999 109.163 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.1 ttp -60.81 -51.82 67.71 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.42999999999999999 110.428 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.06 -39.81 90.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.28000000000000003 109.598 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -56.12 -42.43 76.87 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.51 -0.876 . . . . 2.52 108.692 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.05 -47.62 85.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.972 . . . . 1.75 108.979 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.85 -42.09 90.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 0.31 109.521 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.363 -0.836 . . . . 1.21 109.723 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.54 -37.26 85.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.605 -0.684 . . . . 1.6899999999999999 109.324 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.48 -47.75 84.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.27000000000000002 109.12 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.8 -41.87 98.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 0.29999999999999999 109.342 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.66 -40.32 94.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 1.9299999999999999 109.012 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.673 HD22 HD22 ' A' ' 32' ' ' LEU . 3.4 tt -60.5 -52.43 65.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.779 -0.823 . . . . 0.40000000000000002 108.779 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -61.14 -40.76 95.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 1.5900000000000001 109.224 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.466 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.1 m-20 -60.55 -39.6 88.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.525 -0.735 . . . . 1.4299999999999999 110.068 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.4 94.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.079 -1.013 . . . . 0.65000000000000002 110.058 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 120.766 -1.209 . . . . 1.1899999999999999 109.817 -179.884 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.453 0.644 . . . . 2.1099999999999999 109.523 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.5 140.62 35.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.372 -0.83 . . . . 0.64000000000000001 109.566 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.63 139.85 51.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.332 -0.855 . . . . 0.48999999999999999 109.508 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -90.91 156.75 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.694 -0.854 . . . . 0.46999999999999997 108.694 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.05 127.97 14.48 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.061 -1.025 . . . . 0.41999999999999998 108.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -84.26 127.1 33.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.42 -0.8 . . . . 1.8100000000000001 109.284 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.2 122.24 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.343 -0.848 . . . . 0.41999999999999998 109.774 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -78.04 142.78 37.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.496 -0.753 . . . . 2.3500000000000001 110.543 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 124.22 1.19 Allowed Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.858 -0.897 . . . . 0.40999999999999998 110.858 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -64.09 -42.12 97.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -1.078 . . . . 2.5899999999999999 109.674 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.82 -42.4 93.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.045 -1.034 . . . . 2.54 108.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.496 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.674 -0.861 . . . . 3.3900000000000001 108.674 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.81 -48.42 81.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.483 -0.761 . . . . 0.46999999999999997 109.545 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.55 -39.21 83.23 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.191 -0.943 . . . . 1.6599999999999999 109.158 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 49.6 ttp -60.6 -53.38 58.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 0.60999999999999999 110.416 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.94 -39.17 93.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.951 -1.093 . . . . 0.33000000000000002 109.565 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -56.49 -43.07 79.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 108.823 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.18 -46.99 87.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.68 -0.859 . . . . 1.78 108.68 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.67 -43.76 88.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.451 -0.781 . . . . 0.38 109.374 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -60.14 -48.63 80.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 1.2 109.888 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.6 -39.88 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.397 -0.814 . . . . 2.1200000000000001 109.798 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.01 -45.94 91.1 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.457 -0.777 . . . . 0.26000000000000001 109.402 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.4 -41.36 98.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.40000000000000002 108.779 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.345 -0.847 . . . . 2.0899999999999999 108.798 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' LEU . . . . . 0.513 ' O ' HD23 ' C' ' 32' ' ' LEU . 3.4 tt -60.51 -52.16 66.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.452 -0.78 . . . . 0.75 109.379 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.406 ' HZ3' HD12 ' D' ' 32' ' ' LEU . 18.9 ttmm -61.12 -41.37 96.58 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.123 -0.985 . . . . 2.1899999999999999 109.225 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.557 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.6 m-20 -60.68 -39.6 89.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.594 -0.691 . . . . 1.3400000000000001 110.386 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.131 -0.981 . . . . 0.71999999999999997 110.038 -179.017 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.376 0.608 . . . . 1.6699999999999999 109.813 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 140.82 33.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.423 -0.798 . . . . 0.60999999999999999 109.19 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.03 137.49 50.28 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.257 -0.902 . . . . 0.56000000000000005 109.388 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.12 153.71 20.75 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.698 -0.853 . . . . 0.42999999999999999 108.698 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -144.79 128.5 17.22 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.12 -0.988 . . . . 0.34999999999999998 108.703 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.15 128.33 34.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 1.3700000000000001 109.359 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -120.65 121.79 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.606 -0.684 . . . . 0.47999999999999998 109.662 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.78 144.11 39.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.0800000000000001 109.925 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 124.94 1.18 Allowed Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.196 -0.94 . . . . 0.40000000000000002 111.057 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -66.35 -40.8 90.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -1.158 . . . . 2.6400000000000001 108.921 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.26 -42.53 95.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.159 -0.963 . . . . 2.2200000000000002 108.707 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.466 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 39.2 ttm180 -61.92 -41.04 97.46 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.488 -0.758 . . . . 2.7400000000000002 109.211 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.12 -49.2 78.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.817 . . . . 0.42999999999999999 109.268 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.83 -39.18 77.05 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.446 -0.784 . . . . 1.6899999999999999 108.934 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 54.6 ttp -60.4 -52.8 63.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.326 -0.859 . . . . 0.42999999999999999 109.952 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.98 -39.88 90.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.123 -0.985 . . . . 0.27000000000000002 109.977 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.29 -42.29 77.28 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.084 -1.01 . . . . 2.4500000000000002 108.526 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.13 -48.9 79.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.316 -0.865 . . . . 1.75 109.031 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.38 -42.85 95.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.31 109.311 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.14 -50.23 74.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.232 -0.917 . . . . 1.22 109.882 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.45 -38.61 87.85 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.392 -0.818 . . . . 1.73 109.255 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.79 -45.94 90.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.907 . . . . 0.28000000000000003 109.74 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -40.86 98.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.045 -1.034 . . . . 0.31 109.088 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.85 -40.27 94.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 1.9099999999999999 109.343 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 32' ' ' LEU . 3.7 tt -59.99 -51.54 69.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.42999999999999999 108.913 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.42 -40.4 96.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 1.5700000000000001 109.477 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.549 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.7 m-20 -60.4 -39.84 88.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.311 -0.868 . . . . 1.4399999999999999 110.146 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.52 90.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.64000000000000001 109.89 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 C--N 1.303 -1.443 0 O-C-N 121.185 -0.947 . . . . 1.21 110.023 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.324 -0.621 . . . . 1.7 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -109.96 142.05 41.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.494 -0.754 . . . . 0.60999999999999999 109.749 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.17 140.45 45.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.57999999999999996 109.528 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -89.63 155.09 19.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.282 -0.886 . . . . 0.41999999999999998 109.172 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.96 129.38 16.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.121 -0.987 . . . . 0.35999999999999999 109.285 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.08 127.94 34.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 1.3700000000000001 109.083 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.06 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 110.186 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -75.63 145.93 40.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.457 -0.777 . . . . 2.1000000000000001 109.701 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.96 0.98 Allowed Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.053 -1.219 . . . . 0.41999999999999998 110.053 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' A' ' 17' ' ' ARG . 29.6 ttt-85 -67.96 -42.33 81.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -1.122 . . . . 2.6800000000000002 109.111 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.2 -41.4 92.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 108.945 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 38.8 ttm180 -60.04 -40.11 88.27 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.505 -0.747 . . . . 2.77 109.195 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.91 -46.82 88.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.439 -0.788 . . . . 0.42999999999999999 109.615 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.93 -40.08 87.68 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.136 -0.977 . . . . 1.6599999999999999 109.659 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.15 -50.63 72.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.18 -0.95 . . . . 0.44 110.437 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -64.67 -39.98 94.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.007 . . . . 0.28999999999999998 109.521 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -54.37 -44.34 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.133 -0.979 . . . . 2.4399999999999999 108.668 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -48.11 83.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.062 -1.024 . . . . 1.74 108.513 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.02 -43.83 97.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.29999999999999999 109.186 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 1.22 109.221 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -39.91 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.431 -0.793 . . . . 1.72 109.537 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.7 -48.43 81.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.27000000000000002 109.73 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.93 -41.21 97.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.28999999999999998 109.6 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.97 -43.38 95.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.18 -0.95 . . . . 1.9099999999999999 109.613 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.99 -52.39 64.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.093 -1.004 . . . . 0.40999999999999998 109.236 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.5 -45.27 91.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.381 -0.824 . . . . 1.5600000000000001 109.77 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 66.1 m-20 -59.97 -40.11 87.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 1.4299999999999999 109.893 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.15 73.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.66000000000000003 109.329 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.47 -0.769 . . . . 1.1799999999999999 109.664 -179.771 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.406 -0.59 . . . . 1.6100000000000001 109.406 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.55 141.94 39.71 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.457 -0.777 . . . . 0.56999999999999995 109.84 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -135.02 140.11 45.36 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.387 -0.82 . . . . 0.53000000000000003 109.456 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -89.09 155.28 19.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.38 109.173 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.21 129.68 16.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.087 -1.008 . . . . 0.35999999999999999 109.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.48 127.98 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 1.3600000000000001 109.12 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -119.96 120.02 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.481 -0.762 . . . . 0.48999999999999999 110.231 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -75.57 145.39 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.462 -0.774 . . . . 2.1000000000000001 109.903 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 122.21 0.95 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.134 -1.186 . . . . 0.44 110.134 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' B' ' 17' ' ' ARG . 30.5 ttt-85 -67.13 -42.04 85.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -1.177 . . . . 2.7200000000000002 109.389 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.31 -41.68 93.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.025 -1.047 . . . . 2.21 108.92 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 39.0 ttm180 -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.537 -0.727 . . . . 2.79 109.258 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.86 -47.03 87.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.512 -0.742 . . . . 0.45000000000000001 109.579 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -39.97 87.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.235 -0.916 . . . . 1.6799999999999999 109.554 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.07 -50.88 71.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.374 -0.829 . . . . 0.42999999999999999 110.272 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -64.36 -39.92 94.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.28000000000000003 109.593 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.61 -44.12 72.82 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.244 -0.91 . . . . 2.52 108.751 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -47.98 83.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 1.75 108.548 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.49 -43.8 96.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.31 109.093 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.03 -49.85 76.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.359 -0.838 . . . . 1.21 109.182 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -39.99 90.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.5 -0.75 . . . . 1.6899999999999999 109.52 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.67 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.7 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.55 -41.06 96.8 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.14 -0.975 . . . . 0.29999999999999999 109.582 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.01 -43.34 95.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.9299999999999999 109.511 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.16 -52.51 63.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.098 -1.001 . . . . 0.40000000000000002 109.218 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.4 -45.33 91.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.435 -0.791 . . . . 1.5900000000000001 109.832 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 64.7 m-20 -60.19 -40.16 89.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.897 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.99 73.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 0.65000000000000002 109.277 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.308 -0.87 . . . . 1.1899999999999999 109.63 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.213 -0.662 . . . . 2.1099999999999999 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -109.94 142.17 41.67 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.504 -0.748 . . . . 0.64000000000000001 109.744 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.27 140.13 44.95 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.413 -0.804 . . . . 0.48999999999999999 109.567 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -89.19 155.0 19.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.46999999999999997 109.131 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.96 129.62 17.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.206 -0.934 . . . . 0.41999999999999998 109.192 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -85.24 128.08 34.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.884 . . . . 1.8100000000000001 109.079 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.06 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.487 -0.758 . . . . 0.41999999999999998 110.163 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -75.63 145.79 40.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 2.3500000000000001 109.62 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 122.68 0.96 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.052 -1.219 . . . . 0.40999999999999998 110.052 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' C' ' 17' ' ' ARG . 29.9 ttt-85 -68.05 -41.75 81.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -1.125 . . . . 2.5899999999999999 109.247 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.42 -41.71 94.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.037 -1.039 . . . . 2.54 108.873 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 3.3900000000000001 109.173 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.81 -46.7 88.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.46999999999999997 109.588 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.08 -40.03 88.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 109.556 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.1 -50.75 72.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.60999999999999999 110.444 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.54 -40.0 94.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.997 -1.065 . . . . 0.33000000000000002 109.454 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -54.34 -44.58 72.23 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.937 . . . . 3.2799999999999998 108.779 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -47.97 83.65 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.116 -0.99 . . . . 1.78 108.582 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.11 -43.83 97.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 0.38 109.124 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.317 -0.864 . . . . 1.2 109.238 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.472 -0.768 . . . . 2.1200000000000001 109.549 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.85 -48.71 80.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.395 -0.815 . . . . 0.26000000000000001 109.681 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.49 -40.96 96.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.186 -0.946 . . . . 0.40000000000000002 109.538 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 2.0899999999999999 109.561 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.13 -52.51 63.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.178 -0.951 . . . . 0.75 109.292 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.25 -45.27 92.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 2.1899999999999999 109.778 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.54 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 62.5 m-20 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.848 . . . . 1.3400000000000001 109.824 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.71999999999999997 109.369 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.287 -0.634 . . . . 1.6699999999999999 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.72 141.92 41.65 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.395 -0.816 . . . . 0.60999999999999999 109.736 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.97 140.06 45.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.425 -0.797 . . . . 0.56000000000000005 109.533 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.93 155.51 19.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 109.14 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.46 128.85 15.88 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.34999999999999998 109.253 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -84.54 128.15 34.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 1.3700000000000001 109.165 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.99 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.368 -0.833 . . . . 0.47999999999999998 110.29 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -75.86 145.98 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.447 -0.783 . . . . 2.0800000000000001 109.751 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.01 122.43 0.94 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.042 -1.223 . . . . 0.40000000000000002 110.042 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' D' ' 17' ' ' ARG . 30.9 ttt-85 -67.64 -42.37 82.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.244 . . . . 2.6400000000000001 109.062 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.21 -41.12 92.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 108.902 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 38.8 ttm180 -60.29 -39.99 88.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.78 . . . . 2.7400000000000002 109.182 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.02 -46.91 87.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.484 -0.76 . . . . 0.42999999999999999 109.561 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.01 -39.94 87.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.213 -0.93 . . . . 1.6899999999999999 109.689 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -60.15 -50.46 73.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.172 -0.955 . . . . 0.42999999999999999 110.281 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -64.74 -39.93 94.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.02 -1.05 . . . . 0.27000000000000002 109.608 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -54.66 -44.12 73.0 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.231 -0.918 . . . . 2.4500000000000002 108.659 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.93 -48.06 83.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.157 -0.965 . . . . 1.75 108.597 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.45 -43.6 96.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 0.31 109.216 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.98 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.331 -0.856 . . . . 1.22 109.201 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.04 90.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 1.73 109.466 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.63 -48.59 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.331 -0.855 . . . . 0.28000000000000003 109.677 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.74 -41.1 97.21 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.247 -0.908 . . . . 0.31 109.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.13 -43.32 95.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.5 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.05 -52.42 64.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 109.321 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.57 -45.23 91.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.403 -0.81 . . . . 1.5700000000000001 109.781 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.527 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 65.8 m-20 -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.859 . . . . 1.4399999999999999 110.007 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.14 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.64000000000000001 109.478 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.456 -0.777 . . . . 1.21 109.664 -179.652 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.542 0.686 . . . . 1.7 109.591 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.38 147.25 23.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.566 -0.709 . . . . 0.60999999999999999 109.524 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -137.48 140.85 41.45 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.37 -0.831 . . . . 0.57999999999999996 109.396 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.41 156.78 18.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.244 -0.91 . . . . 0.41999999999999998 109.241 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -147.17 130.07 16.23 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.121 -0.987 . . . . 0.35999999999999999 109.223 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.46 128.86 34.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.479 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.45 119.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.46999999999999997 109.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.492 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 2.0 tmm_? -79.89 130.65 35.47 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 2.1000000000000001 109.943 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.41 114.03 3.9 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 110.138 -1.185 . . . . 0.41999999999999998 110.138 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -60.11 -46.83 88.28 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.341 -1.094 . . . . 2.6800000000000002 109.254 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.99 -40.1 88.0 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 109.042 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.611 ' NH1' HD22 ' C' ' 30' ' ' LEU . 8.0 tpp180 -62.04 -40.02 94.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.426 -0.796 . . . . 2.77 109.114 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.11 -45.95 89.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.392 -0.818 . . . . 0.42999999999999999 108.9 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.91 -40.79 90.01 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 108.874 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.9 ttp -62.14 -50.15 73.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.44 109.297 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.92 -39.97 96.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.442 -0.786 . . . . 0.28999999999999998 109.387 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.47 -43.19 88.82 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.138 -0.976 . . . . 2.4399999999999999 108.48 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' D' ' 19' ' ' ARG . 88.3 tt0 -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.337 -0.852 . . . . 1.74 108.986 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.87 -43.47 98.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.29999999999999999 109.238 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.82 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.426 -0.797 . . . . 1.22 109.137 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.58 -40.02 93.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.549 -0.719 . . . . 1.72 109.988 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.54 -47.32 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.21 -0.931 . . . . 0.27000000000000002 109.523 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD22 ' NH1' ' C' ' 19' ' ' ARG . 81.5 mt -62.38 -40.93 98.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.186 -0.946 . . . . 0.28999999999999998 109.608 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.16 -44.6 94.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.58 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.13 -49.99 75.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.157 -0.964 . . . . 0.40999999999999998 109.428 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -61.12 -40.06 92.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.5600000000000001 109.255 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD2' ' NH2' ' C' ' 15' ' ' ARG . 90.5 m-20 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 1.4299999999999999 109.623 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.67 88.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.66000000000000003 109.423 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.961 . . . . 1.1799999999999999 109.723 -179.789 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.392 0.615 . . . . 1.6100000000000001 109.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.22 147.37 23.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.48 -0.762 . . . . 0.56999999999999995 109.538 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.54 141.13 41.4 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.331 -0.856 . . . . 0.53000000000000003 109.358 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 58.0 p -88.35 157.26 18.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.166 -0.959 . . . . 0.38 109.173 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.41 130.08 16.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.17 -0.956 . . . . 0.35999999999999999 109.178 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' D' ' 9' ' ' TYR . 7.4 tt0 -84.39 128.39 34.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 1.3600000000000001 109.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.95 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.431 -0.793 . . . . 0.48999999999999999 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.505 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 1.9 tmm_? -79.54 131.45 36.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.3 -0.875 . . . . 2.1000000000000001 109.815 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.56 114.32 3.94 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 110.326 -1.109 . . . . 0.44 110.326 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.96 -47.2 86.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -1.097 . . . . 2.7200000000000002 109.265 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 2.21 109.14 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.565 ' NH1' HD22 ' D' ' 30' ' ' LEU . 8.7 tpp180 -61.91 -39.95 93.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.397 -0.815 . . . . 2.79 108.945 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.07 -46.17 88.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.8 . . . . 0.45000000000000001 108.917 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 -40.12 87.75 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.722 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.48 -49.99 73.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.469 -0.769 . . . . 0.42999999999999999 109.388 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.23 -40.05 96.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.399 -0.813 . . . . 0.28000000000000003 109.487 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -58.32 -42.84 87.62 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.087 -1.008 . . . . 2.52 108.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.51 ' OE2' ' NH1' ' C' ' 19' ' ' ARG . 88.9 tt0 -60.07 -48.24 82.54 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.39 -0.819 . . . . 1.75 108.972 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.42 -43.63 98.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 0.31 109.14 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -60.03 -47.91 83.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 1.21 109.283 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.45 -40.01 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.558 -0.714 . . . . 1.6899999999999999 110.1 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.8 -46.61 88.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.16 -0.963 . . . . 0.27000000000000002 109.562 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.619 HD22 ' NH1' ' D' ' 19' ' ' ARG . 82.9 mt -62.71 -41.15 99.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.635 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.437 -0.789 . . . . 1.9299999999999999 109.595 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.04 -49.94 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 0.40000000000000002 109.382 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -61.14 -40.08 92.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 1.5900000000000001 109.336 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' NH2' ' D' ' 15' ' ' ARG . 86.8 m-20 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.639 -0.663 . . . . 1.4299999999999999 109.762 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.02 90.2 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.236 -0.915 . . . . 0.65000000000000002 109.532 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.102 -0.999 . . . . 1.1899999999999999 109.792 -179.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.416 0.627 . . . . 2.1099999999999999 109.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.77 147.27 23.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.348 -0.845 . . . . 0.64000000000000001 109.498 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -137.23 141.53 42.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.403 -0.811 . . . . 0.48999999999999999 109.286 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 66.3 p -89.11 156.52 18.77 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.46999999999999997 109.185 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -146.78 129.96 16.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.066 -1.021 . . . . 0.41999999999999998 109.172 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.31 128.62 34.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.8100000000000001 109.373 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 120.04 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.514 -0.741 . . . . 0.41999999999999998 109.267 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.48 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 1.7 tmm_? -79.4 131.23 36.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.338 -0.851 . . . . 2.3500000000000001 109.766 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.88 114.26 3.94 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.48 -1.048 . . . . 0.40999999999999998 110.48 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.04 -47.12 87.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 2.5899999999999999 109.249 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.897 -1.127 . . . . 2.54 109.076 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.533 ' NH1' HD22 ' A' ' 30' ' ' LEU . 8.6 tpp180 -61.58 -40.08 93.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.432 -0.792 . . . . 3.3900000000000001 108.973 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.29 -46.29 88.96 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.448 -0.782 . . . . 0.46999999999999997 109.082 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.88 -40.1 87.54 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.174 -0.954 . . . . 1.6599999999999999 108.57 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.32 -49.87 73.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.33 -0.856 . . . . 0.60999999999999999 109.349 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -63.64 -40.04 95.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.448 -0.782 . . . . 0.33000000000000002 109.43 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -58.34 -42.81 87.66 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.003 -1.06 . . . . 3.2799999999999998 108.517 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' B' ' 19' ' ' ARG . 89.0 tt0 -59.97 -48.39 81.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.287 -0.883 . . . . 1.78 108.969 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.12 -43.92 98.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.38 109.259 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.53 85.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.427 -0.796 . . . . 1.2 109.255 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.76 -39.9 93.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.518 -0.739 . . . . 2.1200000000000001 109.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.87 -46.79 88.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.147 -0.971 . . . . 0.26000000000000001 109.549 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.611 HD22 ' NH1' ' A' ' 19' ' ' ARG . 83.2 mt -62.52 -41.12 98.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.157 -0.964 . . . . 0.40000000000000002 109.667 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.23 -44.42 95.21 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 2.0899999999999999 109.673 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.14 -49.9 75.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 0.75 109.175 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.57 -39.97 93.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.18 -0.95 . . . . 2.1899999999999999 109.212 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.492 ' OD2' ' NH2' ' A' ' 15' ' ' ARG . 89.8 m-20 -59.96 -40.12 87.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -0.77 . . . . 1.3400000000000001 109.657 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.71999999999999997 109.644 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.447 0.642 . . . . 1.6699999999999999 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 9' ' ' TYR . . . . . 0.433 ' CD2' ' OE1' ' B' ' 13' ' ' GLN . 97.8 m-85 -96.18 146.67 24.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.423 -0.798 . . . . 0.60999999999999999 109.544 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -136.81 141.35 42.89 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.407 -0.808 . . . . 0.56000000000000005 109.439 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -88.57 157.23 18.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 0.42999999999999999 109.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.46 129.99 15.88 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.073 -1.017 . . . . 0.34999999999999998 109.163 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.39 128.85 34.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.491 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.12 119.97 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.459 -0.776 . . . . 0.47999999999999998 109.348 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' ARG . . . . . 0.521 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 1.8 tmm_? -79.73 130.75 35.61 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 2.0800000000000001 109.914 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.94 114.58 3.98 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.281 -1.128 . . . . 0.40000000000000002 110.281 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.93 -47.34 86.18 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.463 -1.022 . . . . 2.6400000000000001 109.422 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.0 -40.13 88.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.908 -1.12 . . . . 2.2200000000000002 108.999 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.619 ' NH1' HD22 ' B' ' 30' ' ' LEU . 8.0 tpp180 -61.93 -39.95 93.84 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.329 -0.857 . . . . 2.7400000000000002 109.009 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.02 -45.99 89.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.866 -0.79 . . . . 0.42999999999999999 108.866 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 -40.39 88.82 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.187 -0.946 . . . . 1.6899999999999999 108.972 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.8 ttp -62.66 -50.0 72.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 109.233 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.97 -40.02 96.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.807 . . . . 0.27000000000000002 109.437 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.67 -42.72 89.09 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.044 -1.035 . . . . 2.4500000000000002 108.38 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 88.1 tt0 -60.18 -47.99 83.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.896 . . . . 1.75 108.936 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.39 -44.0 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 0.31 109.202 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.98 -47.32 86.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.406 -0.809 . . . . 1.22 109.354 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.95 -40.09 94.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 1.73 109.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.88 -46.01 90.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 0.28000000000000003 109.651 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' LEU . . . . . 0.565 HD22 ' NH1' ' B' ' 19' ' ' ARG . 80.8 mt -63.57 -40.58 97.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.09 -1.006 . . . . 0.31 109.339 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.14 -44.93 94.58 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.269 -0.894 . . . . 1.9099999999999999 109.78 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.216 -0.928 . . . . 0.42999999999999999 109.347 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.07 -40.19 92.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 1.5700000000000001 109.201 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.505 ' OD2' ' NH2' ' B' ' 15' ' ' ARG . 90.2 m-20 -59.89 -40.12 87.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.524 -0.735 . . . . 1.4399999999999999 109.655 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.06 89.1 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.266 -0.896 . . . . 0.64000000000000001 109.501 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.272 -0.893 . . . . 1.21 109.797 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.453 0.644 . . . . 1.7 109.734 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.9 146.61 24.44 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.558 -0.714 . . . . 0.60999999999999999 109.373 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -136.33 140.83 43.61 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.28 -0.888 . . . . 0.57999999999999996 110.041 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -89.9 152.12 21.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.082 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.56 130.47 20.48 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.16 -0.963 . . . . 0.35999999999999999 109.165 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -84.87 128.56 34.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 1.3700000000000001 109.328 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.02 124.38 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.521 -0.737 . . . . 0.46999999999999997 110.023 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -75.35 143.86 42.62 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.518 -0.738 . . . . 2.1000000000000001 110.439 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.24 121.84 0.93 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.646 -0.982 . . . . 0.41999999999999998 110.646 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 17' ' ' ARG . 37.9 ttt-85 -67.19 -42.74 83.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.375 -1.074 . . . . 2.6800000000000002 109.041 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -43.18 95.66 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.057 -1.027 . . . . 2.2200000000000002 108.451 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.476 HH12 ' CD ' ' D' ' 25' ' ' GLU . 10.3 tpp180 -60.41 -39.98 89.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.474 -0.766 . . . . 2.77 108.936 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.3 -45.23 88.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 108.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.46 -40.05 85.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.253 -0.904 . . . . 1.6599999999999999 108.633 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 29.7 ttp -62.52 -49.94 73.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.278 -0.889 . . . . 0.44 109.301 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.81 -40.02 93.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.28999999999999998 109.207 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.79 -44.54 77.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.094 -1.004 . . . . 2.4399999999999999 108.586 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' D' ' 19' ' ' ARG . 88.7 tt0 -59.92 -47.95 83.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 1.74 109.388 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.25 -44.36 97.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.16 -0.963 . . . . 0.29999999999999999 109.397 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 1.22 109.279 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -39.86 91.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.45 -0.781 . . . . 1.72 109.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.712 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -57.8 -48.98 78.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.27000000000000002 109.803 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.35 -41.59 98.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.07 -1.018 . . . . 0.28999999999999998 109.301 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.74 95.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.601 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.04 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 0.40999999999999998 109.216 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.7 -46.88 87.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 1.5600000000000001 109.319 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.978 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.66000000000000003 109.955 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.034 -1.042 . . . . 1.1799999999999999 109.478 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.452 0.644 . . . . 1.6100000000000001 109.803 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.98 147.38 23.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.357 -0.839 . . . . 0.56999999999999995 109.429 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -136.84 141.53 42.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.271 -0.893 . . . . 0.53000000000000003 110.002 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -90.8 151.34 21.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.51 -0.744 . . . . 0.38 109.085 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.73 130.28 21.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.267 -0.895 . . . . 0.35999999999999999 109.179 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.18 128.82 34.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 1.3600000000000001 109.242 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.42 124.19 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.553 -0.717 . . . . 0.48999999999999999 109.794 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -75.09 144.5 42.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.552 -0.717 . . . . 2.1000000000000001 110.285 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.58 121.42 0.81 Allowed Glycine 0 N--CA 1.495 2.598 0 C-N-CA 120.396 -0.907 . . . . 0.44 110.88 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 38.1 ttt-85 -66.82 -42.92 85.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 2.7200000000000002 109.174 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.91 -43.23 94.97 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.039 -1.038 . . . . 2.21 108.381 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.564 HH12 ' CD ' ' C' ' 25' ' ' GLU . 10.1 tpp180 -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.417 -0.802 . . . . 2.79 108.985 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.43 -45.06 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.36 -0.838 . . . . 0.45000000000000001 109.06 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 99.3 mt-10 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.259 -0.901 . . . . 1.6799999999999999 108.572 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 28.2 ttp -62.2 -50.44 71.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.368 -0.833 . . . . 0.42999999999999999 109.305 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.67 -40.03 93.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.386 -0.821 . . . . 0.28000000000000003 109.189 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.6 -44.5 77.03 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.219 -0.925 . . . . 2.52 108.66 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.551 ' CD ' HH12 ' C' ' 19' ' ' ARG . 88.4 tt0 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.361 -0.837 . . . . 1.75 109.332 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.87 -44.33 97.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 0.31 109.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.03 -50.05 75.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 1.21 109.324 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.01 -39.72 90.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.479 -0.763 . . . . 1.6899999999999999 109.931 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.712 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.05 -49.33 77.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.159 -0.963 . . . . 0.27000000000000002 109.634 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.92 -41.65 98.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.014 . . . . 0.29999999999999999 109.352 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.77 95.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.299 -0.876 . . . . 1.9299999999999999 109.718 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.326 -0.858 . . . . 0.40000000000000002 109.203 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.64 -47.33 85.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.413 -0.805 . . . . 1.5900000000000001 109.352 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.95 -39.98 87.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.625 -0.672 . . . . 1.4299999999999999 110.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.08 95.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.885 . . . . 0.65000000000000002 109.768 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 1.1899999999999999 109.643 179.735 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.538 0.685 . . . . 2.1099999999999999 109.641 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -96.2 146.41 24.71 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.488 -0.758 . . . . 0.64000000000000001 109.336 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -136.2 140.82 43.84 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.275 -0.891 . . . . 0.48999999999999999 109.964 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.84 154.09 20.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.847 . . . . 0.46999999999999997 108.998 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.19 129.91 18.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 0.41999999999999998 109.211 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.02 128.78 34.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 1.8100000000000001 109.433 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.16 124.29 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.521 -0.737 . . . . 0.41999999999999998 109.847 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.22 144.39 42.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.419 -0.8 . . . . 2.3500000000000001 110.252 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.57 121.91 0.84 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.728 -0.949 . . . . 0.40999999999999998 110.728 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' C' ' 17' ' ' ARG . 36.4 ttt-85 -67.25 -42.41 83.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -1.062 . . . . 2.5899999999999999 109.195 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.4 -43.15 96.94 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.321 -0.992 . . . . 2.54 108.321 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.551 HH12 ' CD ' ' B' ' 25' ' ' GLU . 9.9 tpp180 -60.35 -39.92 88.87 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.949 -0.76 . . . . 3.3900000000000001 108.949 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.0 -44.27 91.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.46999999999999997 108.979 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.93 -40.02 87.49 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.251 -0.906 . . . . 1.6599999999999999 108.566 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 28.9 ttp -62.52 -50.36 71.68 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.469 -0.769 . . . . 0.60999999999999999 109.499 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.72 -39.96 93.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.395 -0.815 . . . . 0.33000000000000002 109.136 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.52 -44.59 76.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.183 -0.948 . . . . 3.2799999999999998 108.691 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLU . . . . . 0.564 ' CD ' HH12 ' B' ' 19' ' ' ARG . 88.5 tt0 -60.09 -48.18 82.81 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.354 -0.841 . . . . 1.78 109.338 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.92 -44.5 97.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.38 109.331 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.92 -50.03 75.38 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.22 -0.925 . . . . 1.2 109.234 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.98 -40.04 91.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 2.1200000000000001 109.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -57.57 -49.97 74.63 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 0.26000000000000001 109.609 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.33 -41.88 97.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.058 -1.026 . . . . 0.40000000000000002 109.381 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.54 94.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 2.0899999999999999 109.467 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.75 109.257 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.71 -47.14 86.6 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.366 -0.834 . . . . 2.1899999999999999 109.259 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.97 -40.07 87.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.556 -0.715 . . . . 1.3400000000000001 110.01 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 0.71999999999999997 110.011 -179.15 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.398 0.618 . . . . 1.6699999999999999 109.787 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.68 147.31 23.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.406 -0.809 . . . . 0.60999999999999999 109.554 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.81 140.96 42.86 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.296 -0.877 . . . . 0.56000000000000005 110.062 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.8 p -90.45 151.29 21.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.378 -0.826 . . . . 0.42999999999999999 109.069 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.52 130.53 21.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.34999999999999998 109.357 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.53 128.74 34.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.262 -0.899 . . . . 1.3700000000000001 109.257 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.33 123.96 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.488 -0.757 . . . . 0.47999999999999998 109.798 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -74.84 144.33 43.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.443 -0.786 . . . . 2.0800000000000001 110.379 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.8 121.17 0.82 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.766 -0.934 . . . . 0.40000000000000002 110.766 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' D' ' 17' ' ' ARG . 38.5 ttt-85 -66.52 -42.79 86.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.427 -1.043 . . . . 2.6400000000000001 109.24 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -43.24 95.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.107 -0.996 . . . . 2.2200000000000002 108.407 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' A' ' 25' ' ' GLU . 10.2 tpp180 -60.24 -40.05 88.87 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.014 -0.736 . . . . 2.7400000000000002 109.014 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.55 -44.84 89.79 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.237 -0.915 . . . . 0.42999999999999999 109.051 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -40.0 87.2 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 1.6899999999999999 108.627 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 29.2 ttp -62.35 -49.96 73.5 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.35 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.87 -39.96 93.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.27000000000000002 109.224 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.94 -44.47 78.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.139 -0.976 . . . . 2.4500000000000002 108.654 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLU . . . . . 0.476 ' CD ' HH12 ' A' ' 19' ' ' ARG . 88.6 tt0 -59.95 -47.99 83.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.532 -0.73 . . . . 1.75 109.321 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.29 -44.45 97.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.184 -0.948 . . . . 0.31 109.259 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.06 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 1.22 109.249 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -40.01 91.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.461 -0.774 . . . . 1.73 110.041 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -57.74 -49.58 76.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.192 -0.942 . . . . 0.28000000000000003 109.63 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.84 -41.37 97.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.04 -1.037 . . . . 0.31 109.499 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -42.73 96.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.42999999999999999 109.006 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.59 -47.3 86.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.839 . . . . 1.5700000000000001 109.49 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.07 -40.04 88.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.694 -0.629 . . . . 1.4399999999999999 110.045 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.97 94.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.64000000000000001 109.88 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.16 -0.963 . . . . 1.21 109.526 179.801 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.472 -0.566 . . . . 1.7 109.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.99 145.22 37.35 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.427 -0.796 . . . . 0.60999999999999999 109.457 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.27 138.71 43.77 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.345 -0.847 . . . . 0.57999999999999996 109.292 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.37 157.08 18.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.41999999999999998 109.027 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -146.77 127.04 13.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.14 -0.975 . . . . 0.35999999999999999 109.359 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -84.6 128.86 34.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.657 -0.868 . . . . 1.3700000000000001 108.657 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.04 119.99 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.385 -0.822 . . . . 0.46999999999999997 109.681 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -77.5 138.03 38.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.606 -0.684 . . . . 2.1000000000000001 110.011 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.71 124.74 2.35 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 110.04 -1.224 . . . . 0.41999999999999998 110.04 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 17' ' ' ARG . 14.1 ttt-85 -66.42 -42.45 87.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -1.161 . . . . 2.6800000000000002 109.71 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.19 91.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 2.2200000000000002 108.643 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.477 -0.764 . . . . 2.77 108.998 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.94 -49.06 79.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.42999999999999999 109.554 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.55 -39.27 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.304 -0.873 . . . . 1.6599999999999999 109.119 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -59.96 -51.85 67.93 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.44 110.167 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -67.08 -39.74 86.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.28999999999999998 109.652 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -55.16 -41.78 72.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.2 -0.937 . . . . 2.4399999999999999 108.546 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -49.47 77.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.222 -1.029 . . . . 1.74 108.222 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.4 -44.86 93.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.415 -0.803 . . . . 0.29999999999999999 109.536 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 1.22 109.474 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.9 tt0 -60.2 -39.94 88.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.369 -0.832 . . . . 1.72 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.57 -46.62 88.37 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.278 -0.889 . . . . 0.27000000000000002 109.253 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.72 -41.21 97.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.202 -0.936 . . . . 0.28999999999999998 109.159 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.09 -42.5 94.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.2 -46.57 89.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 0.40999999999999998 108.793 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.505 -0.747 . . . . 1.5600000000000001 109.446 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.03 -40.05 83.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 1.4299999999999999 108.884 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.31 77.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.215 -0.928 . . . . 0.66000000000000003 108.945 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.37 -0.831 . . . . 1.1799999999999999 109.239 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.453 -0.573 . . . . 1.6100000000000001 109.453 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -110.07 144.82 38.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.55 -0.719 . . . . 0.56999999999999995 109.332 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.04 138.52 43.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.34 -0.85 . . . . 0.53000000000000003 109.307 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.03 157.25 18.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.3 -0.875 . . . . 0.38 109.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -146.69 127.39 14.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.145 -0.972 . . . . 0.35999999999999999 109.311 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.09 128.73 34.77 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.567 -0.901 . . . . 1.3600000000000001 108.567 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.0 120.06 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.46 -0.775 . . . . 0.48999999999999999 109.745 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -77.44 138.12 39.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.62 -0.675 . . . . 2.1000000000000001 110.054 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.64 125.43 2.46 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.905 -1.278 . . . . 0.44 109.905 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' B' ' 17' ' ' ARG . 14.2 ttt-85 -67.64 -41.73 83.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -1.165 . . . . 2.7200000000000002 109.604 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.99 -41.39 91.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.988 -1.07 . . . . 2.21 108.632 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.46 -39.93 89.36 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.486 -0.759 . . . . 2.79 109.098 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -0.806 . . . . 0.45000000000000001 109.43 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.1 -39.31 78.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.192 -0.942 . . . . 1.6799999999999999 109.266 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 64.5 ttp -60.05 -51.59 68.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.244 -0.91 . . . . 0.42999999999999999 110.023 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -67.33 -40.0 85.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.05 -1.031 . . . . 0.28000000000000003 109.762 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.79 -41.76 70.95 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.473 -0.936 . . . . 2.52 108.473 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -59.95 -49.88 75.95 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.284 -1.006 . . . . 1.75 108.284 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.32 -44.71 94.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.474 -0.766 . . . . 0.31 109.481 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -60.05 -49.13 78.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 1.21 109.359 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -40.02 88.11 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 1.6899999999999999 109.246 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.61 -46.64 88.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.296 -0.877 . . . . 0.27000000000000002 109.334 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.91 -41.33 97.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.093 -1.004 . . . . 0.29999999999999999 109.256 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -59.99 -42.23 93.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 1.9299999999999999 109.267 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.21 -46.41 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.309 -0.87 . . . . 0.40000000000000002 108.785 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 36.3 ttmt -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.478 -0.764 . . . . 1.5900000000000001 109.474 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.99 -39.93 83.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.876 . . . . 1.4299999999999999 108.933 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.24 77.16 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.244 -0.91 . . . . 0.65000000000000002 108.94 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.1899999999999999 109.313 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.396 -0.594 . . . . 2.1099999999999999 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -110.07 144.77 38.17 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.359 -0.838 . . . . 0.64000000000000001 109.397 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.18 138.53 43.75 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.48999999999999999 109.321 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -88.1 156.77 19.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.354 -0.841 . . . . 0.46999999999999997 109.041 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -146.23 128.02 15.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.255 -0.903 . . . . 0.41999999999999998 109.15 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.63 128.69 34.84 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.574 -0.899 . . . . 1.8100000000000001 108.574 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -119.94 120.07 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.396 -0.815 . . . . 0.41999999999999998 109.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -77.16 138.07 39.26 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.611 -0.681 . . . . 2.3500000000000001 109.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.81 125.26 2.48 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 110.059 -1.217 . . . . 0.40999999999999998 110.059 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' C' ' 17' ' ' ARG . 14.9 ttt-85 -67.2 -42.11 84.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -1.145 . . . . 2.5899999999999999 109.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.11 -41.35 92.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 2.54 108.629 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.5 -39.97 89.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.991 -0.744 . . . . 3.3900000000000001 108.991 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -60.0 -48.71 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.493 -0.754 . . . . 0.46999999999999997 109.529 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.57 -39.43 80.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.188 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 64.8 ttp -59.97 -52.01 67.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.333 -0.854 . . . . 0.60999999999999999 110.168 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.89 -39.53 87.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.104 -0.998 . . . . 0.33000000000000002 109.637 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -55.33 -41.88 73.06 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.205 -0.935 . . . . 3.2799999999999998 108.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' D' ' 33' ' ' LYS . 54.2 tp10 -59.99 -49.31 78.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.28 -1.007 . . . . 1.78 108.28 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.57 -44.74 93.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.43 -0.794 . . . . 0.38 109.622 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.03 -49.34 78.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 1.2 109.313 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.211 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.58 -46.67 88.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 0.26000000000000001 109.195 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.64 -41.49 97.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.158 -0.963 . . . . 0.40000000000000002 109.197 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.16 -42.01 94.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 2.0899999999999999 109.431 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.56 -46.37 90.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.231 -0.918 . . . . 0.75 108.66 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.11 -39.96 87.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.516 -0.74 . . . . 2.1899999999999999 109.43 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.16 -40.07 84.43 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.263 -0.898 . . . . 1.3400000000000001 108.926 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.238 -0.914 . . . . 0.71999999999999997 109.001 179.355 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.535 -0.542 . . . . 1.6699999999999999 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.0 145.13 37.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.465 -0.772 . . . . 0.60999999999999999 109.464 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.36 138.48 43.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.372 -0.83 . . . . 0.56000000000000005 109.355 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -88.37 156.92 18.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.835 . . . . 0.42999999999999999 109.101 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -146.34 127.92 15.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.937 . . . . 0.34999999999999998 109.15 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.6 128.71 34.84 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.523 -0.917 . . . . 1.3700000000000001 108.523 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.03 119.97 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.335 -0.853 . . . . 0.47999999999999998 109.598 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -77.0 138.12 39.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 2.0800000000000001 110.01 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.65 124.79 2.34 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.106 -1.198 . . . . 0.40000000000000002 110.106 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' D' ' 17' ' ' ARG . 13.6 ttt-85 -66.68 -42.32 86.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -1.151 . . . . 2.6400000000000001 109.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.45 92.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.013 -1.054 . . . . 2.2200000000000002 108.596 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.42 -40.05 89.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.413 -0.804 . . . . 2.7400000000000002 109.119 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.0 -49.38 77.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.334 -0.854 . . . . 0.42999999999999999 109.384 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.1 -39.24 78.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 1.6899999999999999 109.203 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.04 -51.54 69.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.32 -0.862 . . . . 0.42999999999999999 110.154 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -67.15 -40.09 86.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.27000000000000002 109.689 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.81 -41.91 71.22 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.209 -0.932 . . . . 2.4500000000000002 108.52 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -59.96 -49.63 76.93 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.245 -1.021 . . . . 1.75 108.245 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.51 -44.47 94.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 0.31 109.537 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.03 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 1.22 109.435 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -40.09 89.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.493 -0.754 . . . . 1.73 109.313 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.58 -46.74 88.05 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 0.28000000000000003 109.195 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.67 -41.33 97.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 0.31 109.231 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.98 -42.06 93.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.335 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.63 -46.43 90.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.42999999999999999 108.582 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' C' ' 25' ' ' GLU . 36.3 ttmt -60.04 -39.85 87.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.592 -0.693 . . . . 1.5700000000000001 109.443 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.3 -39.92 84.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 1.4399999999999999 108.974 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.92 76.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.169 -0.957 . . . . 0.64000000000000001 108.899 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.21 109.281 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.433 0.635 . . . . 1.7 109.889 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.59 145.84 24.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.346 -0.847 . . . . 0.60999999999999999 108.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.98 141.73 47.39 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.22 -0.925 . . . . 0.57999999999999996 109.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.7 p -89.23 156.42 18.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.877 . . . . 0.41999999999999998 108.776 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -147.09 130.91 17.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.082 -1.011 . . . . 0.35999999999999999 109.22 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.74 127.89 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 1.3700000000000001 109.606 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.97 119.94 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.521 -0.737 . . . . 0.46999999999999997 109.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.8 145.98 38.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.376 -0.827 . . . . 2.1000000000000001 110.435 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 125.52 0.63 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.427 -1.069 . . . . 0.41999999999999998 110.427 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.46 -40.01 89.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -1.071 . . . . 2.6800000000000002 109.116 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.0 -40.96 91.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.09 -1.007 . . . . 2.2200000000000002 109.048 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.87 -39.96 93.71 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.639 -0.874 . . . . 2.77 108.639 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.06 -45.61 92.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.213 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -41.8 92.82 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 108.615 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 ttp -62.09 -49.94 73.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.38 -0.825 . . . . 0.44 109.08 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.5 -39.97 92.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.433 -0.792 . . . . 0.28999999999999998 109.075 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -54.52 -47.41 73.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 2.4399999999999999 108.797 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.72 88.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 1.74 108.883 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.68 -45.55 92.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 0.29999999999999999 109.121 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.04 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.811 . . . . 1.22 109.642 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.75 -39.95 95.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.369 -0.832 . . . . 1.72 109.534 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.82 -49.96 75.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.27000000000000002 109.669 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.28 -41.69 98.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.112 -0.993 . . . . 0.28999999999999998 109.613 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.15 -40.83 95.34 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.07 -1.019 . . . . 1.9099999999999999 109.045 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.26 -46.52 89.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.324 -0.86 . . . . 0.40999999999999998 108.856 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -59.98 -40.04 87.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.417 -0.802 . . . . 1.5600000000000001 109.386 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.97 -39.91 87.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.342 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.66 76.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.151 -0.968 . . . . 0.66000000000000003 109.32 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 1.1799999999999999 109.442 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.347 0.594 . . . . 1.6100000000000001 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -95.35 145.58 25.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.287 -0.883 . . . . 0.56999999999999995 109.169 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.91 141.14 47.22 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.38 -0.825 . . . . 0.53000000000000003 109.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -88.77 156.11 19.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.367 -0.833 . . . . 0.38 108.833 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -146.61 131.5 18.1 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.995 -1.065 . . . . 0.35999999999999999 109.363 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.31 128.01 34.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.3600000000000001 109.438 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.03 121.05 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.526 -0.734 . . . . 0.48999999999999999 109.345 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -77.88 145.77 36.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 2.1000000000000001 110.58 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 125.86 0.68 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.38 -1.088 . . . . 0.44 110.38 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.57 -39.93 88.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -1.056 . . . . 2.7200000000000002 109.201 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.01 -40.87 90.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 2.21 109.079 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 44.0 ttm180 -61.98 -40.07 94.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.612 -0.885 . . . . 2.79 108.612 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.332 -0.855 . . . . 0.45000000000000001 109.312 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.86 -41.43 91.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.192 -0.943 . . . . 1.6799999999999999 108.662 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.9 ttp -62.4 -49.95 73.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.401 -0.812 . . . . 0.42999999999999999 108.901 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.46 -40.01 92.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.455 -0.778 . . . . 0.28000000000000003 109.146 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.46 -47.31 73.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 2.52 108.865 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -46.9 87.98 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.349 -0.844 . . . . 1.75 108.936 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.59 -45.66 91.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.292 -0.88 . . . . 0.31 109.051 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.97 -50.07 75.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.433 -0.792 . . . . 1.21 109.533 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.7 -40.0 95.78 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.612 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.81 -49.83 76.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 109.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.05 -42.31 99.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.098 -1.001 . . . . 0.29999999999999999 109.57 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.56 -40.59 92.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.083 -1.011 . . . . 1.9299999999999999 109.146 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.44 -46.62 89.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 0.40000000000000002 108.705 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.94 -40.02 87.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 1.5900000000000001 109.475 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.94 -40.09 87.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.872 . . . . 1.4299999999999999 109.489 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.21 77.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.286 -0.884 . . . . 0.65000000000000002 109.227 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.263 -0.898 . . . . 1.1899999999999999 109.539 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.38 0.61 . . . . 2.1099999999999999 109.883 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.82 145.67 25.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.395 -0.815 . . . . 0.64000000000000001 109.052 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -133.62 141.48 47.66 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.258 -0.901 . . . . 0.48999999999999999 110.034 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.2 p -88.71 155.5 19.55 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.776 -0.824 . . . . 0.46999999999999997 108.776 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.45 131.77 18.54 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 0.41999999999999998 109.252 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.61 127.98 34.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.325 -0.859 . . . . 1.8100000000000001 109.57 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.04 120.06 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.443 -0.785 . . . . 0.41999999999999998 109.551 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.99 146.17 37.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.347 -0.846 . . . . 2.3500000000000001 110.381 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.92 125.25 0.65 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.424 -1.07 . . . . 0.40999999999999998 110.424 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.33 -39.94 89.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.394 -1.062 . . . . 2.5899999999999999 109.144 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.02 -40.62 89.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 2.54 109.203 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.17 -40.02 94.59 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.174 -0.954 . . . . 3.3900000000000001 108.574 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.11 -45.56 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.371 -0.831 . . . . 0.46999999999999997 109.167 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.22 -0.925 . . . . 1.6599999999999999 108.668 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 31.3 ttp -62.06 -50.07 73.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.293 -0.879 . . . . 0.60999999999999999 109.015 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.41 -0.807 . . . . 0.33000000000000002 109.116 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -54.4 -47.17 73.04 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.18 -0.95 . . . . 3.2799999999999998 108.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -46.95 87.86 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.373 -0.83 . . . . 1.78 108.913 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.69 -45.44 92.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.38 109.017 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.08 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.422 -0.799 . . . . 1.2 109.466 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.64 -39.94 95.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.398 -0.814 . . . . 2.1200000000000001 109.674 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 0.26000000000000001 109.666 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -41.84 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.192 -0.942 . . . . 0.40000000000000002 109.628 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.25 -40.38 93.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.148 -0.97 . . . . 2.0899999999999999 109.031 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.39 -46.86 88.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 0.75 108.759 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.455 -0.778 . . . . 2.1899999999999999 109.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.881 . . . . 1.3400000000000001 109.374 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.323 -0.861 . . . . 0.71999999999999997 109.133 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.341 0.591 . . . . 1.6699999999999999 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.49 145.53 25.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.415 -0.803 . . . . 0.60999999999999999 109.047 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.65 141.34 47.57 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.296 -0.877 . . . . 0.56000000000000005 109.935 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.64 156.32 19.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.303 -0.873 . . . . 0.42999999999999999 108.76 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -147.05 131.21 17.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 0.34999999999999998 109.253 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -84.13 127.72 34.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 1.3700000000000001 109.648 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 119.99 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.506 -0.746 . . . . 0.47999999999999998 109.346 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.84 145.99 38.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.322 -0.861 . . . . 2.0800000000000001 110.402 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 124.81 0.62 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.509 -1.036 . . . . 0.40000000000000002 110.509 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -66.0 -40.01 90.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -1.081 . . . . 2.6400000000000001 109.133 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.04 -40.58 89.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 2.2200000000000002 109.15 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -62.21 -39.98 94.58 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.195 -0.94 . . . . 2.7400000000000002 108.534 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -45.41 93.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.291 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -42.02 93.37 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 108.571 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 29.8 ttp -62.09 -49.96 73.86 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.448 -0.782 . . . . 0.42999999999999999 109.042 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.32 -39.93 92.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.27000000000000002 109.242 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.56 -47.23 73.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 2.4500000000000002 108.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.87 -47.2 86.72 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.35 -0.844 . . . . 1.75 108.96 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.73 -45.36 93.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.31 108.979 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.98 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.386 -0.821 . . . . 1.22 109.464 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -62.86 -40.03 96.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.469 -0.769 . . . . 1.73 109.684 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.89 -49.76 76.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.263 -0.898 . . . . 0.28000000000000003 109.757 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.23 -41.76 98.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.143 -0.973 . . . . 0.31 109.63 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.7 -41.24 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.176 -0.953 . . . . 1.9099999999999999 109.094 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -46.4 89.68 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.744 -0.835 . . . . 0.42999999999999999 108.744 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -60.04 -39.97 87.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 1.5700000000000001 109.328 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.3 m-20 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.293 -0.879 . . . . 1.4399999999999999 109.584 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.32 75.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.242 -0.912 . . . . 0.64000000000000001 109.321 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 1.21 109.422 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 40.9 mp0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.345 -0.613 . . . . 1.7 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -94.15 142.98 26.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 109.594 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.08 139.57 43.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.448 -0.783 . . . . 0.57999999999999996 109.586 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -89.71 152.73 21.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 0.41999999999999998 108.799 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -147.64 130.18 15.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.987 -1.071 . . . . 0.35999999999999999 109.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.6 129.27 34.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 108.732 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.86 120.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.382 -0.824 . . . . 0.46999999999999997 110.007 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -78.22 141.85 38.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 2.1000000000000001 110.388 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.27 126.16 2.17 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.53 -1.028 . . . . 0.41999999999999998 110.53 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -66.97 -39.97 87.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.449 -1.03 . . . . 2.6800000000000002 109.429 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.67 91.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.44 -0.948 . . . . 2.2200000000000002 108.44 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.3 -42.37 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.429 -0.794 . . . . 2.77 108.911 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.97 -49.87 75.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.42999999999999999 109.105 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.02 -41.63 92.62 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.171 -0.955 . . . . 1.6599999999999999 108.596 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 62.9 ttp -63.32 -50.0 71.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.441 -0.787 . . . . 0.44 109.432 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.73 -41.82 99.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.427 -0.796 . . . . 0.28999999999999998 109.21 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.78 -43.72 90.5 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.318 -0.864 . . . . 2.4399999999999999 109.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.96 -47.55 85.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 1.74 109.446 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.16 -42.57 99.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.188 -0.945 . . . . 0.29999999999999999 109.614 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.15 -0.969 . . . . 1.22 109.141 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' HZ3' ' B' ' 33' ' ' LYS . 98.7 mt-10 -62.22 -40.05 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 1.72 109.702 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.0 -48.58 81.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -0.902 . . . . 0.27000000000000002 109.617 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.43 -43.37 98.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 0.28999999999999998 109.062 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -42.06 94.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.193 -0.942 . . . . 1.9099999999999999 108.878 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -49.15 78.79 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.749 -0.834 . . . . 0.40999999999999998 108.749 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.96 -38.99 84.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 1.5600000000000001 109.286 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.83 -39.98 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.858 . . . . 1.4299999999999999 109.204 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 0.66000000000000003 108.486 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.43 -0.794 . . . . 1.1799999999999999 108.905 179.177 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' B' ' 8' ' ' GLU . 39.8 mp0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.317 0.58 . . . . 1.6100000000000001 109.49 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.96 144.04 25.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.56999999999999995 109.575 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -137.35 139.26 40.7 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.355 -0.841 . . . . 0.53000000000000003 109.561 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -89.32 152.97 21.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.309 -0.869 . . . . 0.38 108.964 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 tp -147.8 130.62 16.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.119 -0.988 . . . . 0.35999999999999999 109.374 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.96 129.37 34.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 108.781 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.81 120.01 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.452 -0.78 . . . . 0.48999999999999999 110.015 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.45 142.63 37.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.397 -0.815 . . . . 2.1000000000000001 110.206 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 125.4 1.84 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.629 -0.988 . . . . 0.44 110.629 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.43 -39.9 89.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -1.077 . . . . 2.7200000000000002 109.379 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -45.23 93.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.133 -0.979 . . . . 2.21 108.502 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.66 -42.39 96.93 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.809 -0.811 . . . . 2.79 108.809 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.01 -49.72 76.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.45000000000000001 109.228 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.93 -41.62 92.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.095 -1.003 . . . . 1.6799999999999999 108.481 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.42 -50.01 71.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.33 -0.856 . . . . 0.42999999999999999 109.5 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.98 -40.94 99.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.28000000000000003 109.128 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -59.3 -44.07 92.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.316 -0.865 . . . . 2.52 109.001 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -47.3 86.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 1.75 109.573 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.21 -42.46 99.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.105 -0.997 . . . . 0.31 109.522 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 1.21 109.217 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.39 -39.97 94.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.545 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -60.04 -49.09 79.03 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.912 . . . . 0.27000000000000002 109.606 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 0.29999999999999999 108.955 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -42.07 93.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 108.877 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 -49.14 78.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 0.40000000000000002 108.861 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.408 ' HZ3' ' HB2' ' A' ' 28' ' ' GLU . 36.4 ttmt -60.01 -38.92 84.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.765 . . . . 1.5900000000000001 109.252 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.6 m-20 -58.62 -40.01 82.11 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.319 -0.863 . . . . 1.4299999999999999 109.329 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.99 96.07 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.083 -1.011 . . . . 0.65000000000000002 108.647 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.374 -0.829 . . . . 1.1899999999999999 108.793 179.191 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 39.9 mp0 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.361 0.601 . . . . 2.1099999999999999 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.01 143.35 26.43 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.444 -0.785 . . . . 0.64000000000000001 109.632 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -137.08 139.42 41.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.499 -0.751 . . . . 0.48999999999999999 109.471 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -89.19 153.16 21.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.35 -0.844 . . . . 0.46999999999999997 109.041 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -148.15 130.03 15.24 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.02 -1.05 . . . . 0.41999999999999998 109.417 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.45 129.28 34.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.86 . . . . 1.8100000000000001 108.785 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.76 120.04 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.516 -0.74 . . . . 0.41999999999999998 110.12 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.18 37.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.401 -0.812 . . . . 2.3500000000000001 110.274 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.1 126.18 2.12 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.562 -1.015 . . . . 0.40999999999999998 110.562 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -66.83 -40.08 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 2.5899999999999999 109.278 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.74 91.76 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.6 -0.889 . . . . 2.54 108.6 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.06 -42.48 94.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.823 -0.806 . . . . 3.3900000000000001 108.823 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.01 -49.94 75.68 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.251 -0.906 . . . . 0.46999999999999997 109.132 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -42.03 93.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.128 -0.982 . . . . 1.6599999999999999 108.368 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.6 ttp -62.72 -50.09 72.47 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.478 -0.764 . . . . 0.60999999999999999 109.574 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.03 -40.81 98.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.33000000000000002 109.238 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -59.32 -44.03 92.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.301 -0.874 . . . . 3.2799999999999998 109.033 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.35 86.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.407 -0.808 . . . . 1.78 109.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.33 -42.13 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.38 109.508 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 1.2 109.103 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.36 -40.05 95.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.469 -0.77 . . . . 2.1200000000000001 109.669 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.93 -49.84 76.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.278 -0.889 . . . . 0.26000000000000001 109.423 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.28 -43.72 95.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 0.40000000000000002 109.104 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -41.62 92.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.136 -0.977 . . . . 2.0899999999999999 108.858 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.21 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.398 -0.814 . . . . 0.75 108.915 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.416 ' HZ2' ' HG3' ' D' ' 25' ' ' GLU . 36.5 ttmt -59.94 -38.9 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 2.1899999999999999 109.274 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.8 -39.96 82.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 1.3400000000000001 109.114 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.105 -0.997 . . . . 0.71999999999999997 108.573 179.279 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 8' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' D' ' 8' ' ' GLU . 39.5 mp0 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.363 0.602 . . . . 1.6699999999999999 109.385 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.06 143.58 26.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.60999999999999999 109.475 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -137.01 139.87 41.71 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.399 -0.813 . . . . 0.56000000000000005 109.544 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.74 152.98 21.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.42999999999999999 109.017 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.09 130.65 15.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.05 . . . . 0.34999999999999998 109.492 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.91 129.49 34.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 1.3700000000000001 108.676 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.98 119.99 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.404 -0.81 . . . . 0.47999999999999998 109.971 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.99 37.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.0800000000000001 110.162 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.24 125.67 1.79 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.654 -0.978 . . . . 0.40000000000000002 110.654 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -66.52 -40.02 88.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.415 -1.05 . . . . 2.6400000000000001 109.426 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -45.51 92.47 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 2.2200000000000002 108.475 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.404 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -60.43 -42.5 96.17 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.44 -0.787 . . . . 2.7400000000000002 108.928 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.97 -49.59 77.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.16 -0.963 . . . . 0.42999999999999999 109.119 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -42.34 93.56 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.414 -0.958 . . . . 1.6899999999999999 108.414 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -62.67 -49.93 73.19 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.547 -0.721 . . . . 0.42999999999999999 109.652 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.23 -40.72 98.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.27000000000000002 109.125 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.48 -43.87 93.18 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.247 -0.908 . . . . 2.4500000000000002 109.066 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HZ2' ' C' ' 33' ' ' LYS . 87.2 tt0 -60.07 -47.35 86.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.399 -0.813 . . . . 1.75 109.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -42.29 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.31 109.684 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.0 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.147 -0.971 . . . . 1.22 109.216 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.57 -39.97 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.506 -0.746 . . . . 1.73 109.647 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.58 -49.79 76.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.276 -0.89 . . . . 0.28000000000000003 109.333 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.28 -43.85 95.85 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.161 -0.962 . . . . 0.31 109.163 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.96 -41.96 93.06 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 1.9099999999999999 108.874 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -49.07 79.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.304 -0.873 . . . . 0.42999999999999999 108.82 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.94 -39.11 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.459 -0.776 . . . . 1.5700000000000001 109.232 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.92 -40.0 83.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.391 -0.818 . . . . 1.4399999999999999 109.316 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.1 96.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.64000000000000001 108.357 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.887 -0.783 . . . . 1.21 108.887 179.261 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.541 -0.54 . . . . 1.7 109.541 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.28 147.57 30.08 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.441 -0.787 . . . . 0.60999999999999999 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -134.7 137.31 43.43 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 109.696 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -89.72 154.12 20.18 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.601 -0.889 . . . . 0.41999999999999998 108.601 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.12 132.99 18.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.925 -1.11 . . . . 0.35999999999999999 109.224 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.487 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.6 tt0 -84.23 128.8 34.8 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.272 -1.01 . . . . 1.3700000000000001 108.272 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.94 120.06 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.31 -0.869 . . . . 0.46999999999999997 109.468 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.09 148.52 36.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.492 -0.755 . . . . 2.1000000000000001 110.028 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.35 125.21 0.71 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.65 -0.98 . . . . 0.41999999999999998 110.65 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.74 -41.19 88.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -1.118 . . . . 2.6800000000000002 109.135 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.1 -42.06 93.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 2.2200000000000002 109.148 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.4 ttm180 -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.287 -0.883 . . . . 2.77 109.072 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.94 -49.5 77.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.437 -0.79 . . . . 0.42999999999999999 109.057 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.03 -40.89 90.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.6599999999999999 108.597 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.4 ttp -62.93 -49.26 75.47 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.423 -0.798 . . . . 0.44 108.993 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.51 -40.09 95.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.854 . . . . 0.28999999999999998 108.924 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.11 -44.6 91.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.293 -0.879 . . . . 2.4399999999999999 109.115 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.09 83.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.192 -0.943 . . . . 1.74 109.059 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.51 -44.64 96.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 0.29999999999999999 108.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.261 -0.899 . . . . 1.22 109.254 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.11 -41.06 96.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.206 -0.934 . . . . 1.72 109.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.1 -49.93 75.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.27000000000000002 109.658 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.8 -41.69 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.359 -0.838 . . . . 0.28999999999999998 109.525 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.04 -40.86 90.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -0.982 . . . . 1.9099999999999999 109.283 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.07 -48.85 79.99 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.266 -0.896 . . . . 0.40999999999999998 109.083 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.356 -0.84 . . . . 1.5600000000000001 109.422 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.56 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 99.2 m-20 -59.67 -39.17 83.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -0.789 . . . . 1.4299999999999999 109.593 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.74 86.76 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.274 -0.891 . . . . 0.66000000000000003 108.889 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.511 HE22 HD11 ' B' ' 32' ' ' LEU . 95.5 mt-30 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.114 -0.991 . . . . 1.1799999999999999 109.523 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.523 -0.547 . . . . 1.6100000000000001 109.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' TYR . . . . . 0.441 ' CB ' HE21 ' D' ' 13' ' ' GLN . 95.7 m-85 -107.61 147.12 31.06 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.602 -0.686 . . . . 0.56999999999999995 109.174 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -134.65 137.28 43.48 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.263 -0.898 . . . . 0.53000000000000003 109.967 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -89.66 153.58 20.62 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.641 -0.874 . . . . 0.38 108.641 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.92 132.58 17.85 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.036 -1.04 . . . . 0.35999999999999999 109.515 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.408 HE21 ' CB ' ' D' ' 9' ' ' TYR . 63.0 tt0 -83.63 129.04 34.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 1.3600000000000001 108.509 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.02 120.0 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.41 -0.806 . . . . 0.48999999999999999 109.419 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.11 149.04 35.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.432 -0.792 . . . . 2.1000000000000001 110.008 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 125.41 0.65 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.65 -0.98 . . . . 0.44 110.65 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.75 -41.21 88.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -1.079 . . . . 2.7200000000000002 109.129 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 2.21 109.202 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.7 ttm180 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.331 -0.856 . . . . 2.79 108.972 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.93 -49.62 76.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.536 -0.728 . . . . 0.45000000000000001 109.05 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.91 -41.39 91.59 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 1.6799999999999999 108.34 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.105 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.27 -39.99 94.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.42 -0.8 . . . . 0.28000000000000003 108.979 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.11 -44.44 91.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 2.52 109.092 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.29 82.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.253 -0.904 . . . . 1.75 108.996 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.53 -44.42 97.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.188 -0.945 . . . . 0.31 109.054 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.239 -0.913 . . . . 1.21 109.032 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.95 -41.28 96.01 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.313 -0.867 . . . . 1.6899999999999999 109.453 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.95 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.27000000000000002 109.754 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.29999999999999999 109.509 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.2 -40.6 90.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.378 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.511 HD11 HE22 ' A' ' 36' ' ' GLN . 59.0 tp -60.25 -48.88 79.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.343 -0.848 . . . . 0.40000000000000002 109.104 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.401 -0.812 . . . . 1.5900000000000001 109.356 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.5 m-20 -59.65 -39.07 83.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 1.4299999999999999 109.431 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.331 -0.855 . . . . 0.65000000000000002 109.173 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.1899999999999999 109.442 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.561 -0.533 . . . . 2.1099999999999999 109.561 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 9' ' ' TYR . . . . . 0.487 ' CB ' HE21 ' A' ' 13' ' ' GLN . 97.5 m-85 -107.26 147.26 30.43 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.432 -0.793 . . . . 0.64000000000000001 109.125 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.57 136.67 43.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.279 -0.888 . . . . 0.48999999999999999 109.929 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -89.37 153.75 20.61 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.653 -0.869 . . . . 0.46999999999999997 108.653 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.97 132.83 18.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.896 -1.127 . . . . 0.41999999999999998 109.335 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -83.85 128.94 34.9 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.308 -0.997 . . . . 1.8100000000000001 108.308 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -119.98 119.98 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.36 -0.838 . . . . 0.41999999999999998 109.544 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -77.39 148.81 35.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.394 -0.816 . . . . 2.3500000000000001 110.375 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.22 125.03 0.68 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.463 -1.055 . . . . 0.40999999999999998 110.463 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.49 -40.99 89.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -1.137 . . . . 2.5899999999999999 109.175 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.03 -42.43 94.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 2.54 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.56 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 41.7 ttm180 -60.73 -40.12 91.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.245 -0.91 . . . . 3.3900000000000001 108.952 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.97 -49.64 76.88 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.874 -0.787 . . . . 0.46999999999999997 108.874 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.98 -41.41 91.96 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.376 -0.972 . . . . 1.6599999999999999 108.376 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -62.17 -49.85 74.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.476 -0.765 . . . . 0.60999999999999999 109.042 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.2 -40.09 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.412 -0.805 . . . . 0.33000000000000002 109.005 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -58.74 -44.73 90.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.353 -0.842 . . . . 3.2799999999999998 109.203 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -48.05 83.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.255 -0.903 . . . . 1.78 109.048 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.38 109.032 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.98 -49.99 75.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 1.2 109.236 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.77 -41.1 94.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 2.1200000000000001 109.427 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.26000000000000001 109.859 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.74 -41.89 98.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.394 -0.816 . . . . 0.40000000000000002 109.464 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.02 -40.53 89.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.955 . . . . 2.0899999999999999 109.406 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' LEU . . . . . 0.428 HD11 HE22 ' D' ' 36' ' ' GLN . 58.8 tp -60.26 -48.93 79.65 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.88 . . . . 0.75 109.159 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -0.795 . . . . 2.1899999999999999 109.421 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 99.7 m-20 -59.74 -39.32 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.3400000000000001 109.471 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 121.166 -0.959 . . . . 0.71999999999999997 108.876 -179.805 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.633 -0.506 . . . . 1.6699999999999999 109.633 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 9' ' ' TYR . . . . . 0.408 ' CB ' HE21 ' B' ' 13' ' ' GLN . 97.0 m-85 -107.66 147.54 30.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.505 -0.747 . . . . 0.60999999999999999 109.123 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.97 136.17 42.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.329 -0.857 . . . . 0.56000000000000005 109.955 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.95 152.85 21.47 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.576 -0.898 . . . . 0.42999999999999999 108.576 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -147.16 133.07 19.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.933 -1.104 . . . . 0.34999999999999998 109.356 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' GLN . . . . . 0.441 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.9 tt0 -84.32 129.13 34.9 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.381 -0.97 . . . . 1.3700000000000001 108.381 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.04 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.393 -0.817 . . . . 0.47999999999999998 109.499 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -77.18 148.22 36.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.539 -0.726 . . . . 2.0800000000000001 110.131 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 124.82 0.7 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.561 -1.016 . . . . 0.40000000000000002 110.561 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.02 -41.49 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -1.164 . . . . 2.6400000000000001 109.159 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.01 -42.22 93.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.148 -0.97 . . . . 2.2200000000000002 109.15 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.517 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 41.7 ttm180 -60.78 -40.04 91.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.232 -0.917 . . . . 2.7400000000000002 108.933 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.93 -49.86 76.02 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.484 -0.76 . . . . 0.42999999999999999 109.079 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.87 -41.36 91.34 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.44 -0.948 . . . . 1.6899999999999999 108.44 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.96 -50.06 73.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.489 -0.757 . . . . 0.42999999999999999 108.961 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.02 -40.06 94.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.348 -0.845 . . . . 0.27000000000000002 109.023 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.02 -44.36 91.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.313 -0.867 . . . . 2.4500000000000002 109.11 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.0 -48.69 80.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.892 . . . . 1.75 109.058 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.03 -44.65 97.09 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.187 -0.945 . . . . 0.31 109.104 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.349 -0.844 . . . . 1.22 109.225 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.88 -41.1 95.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.301 -0.874 . . . . 1.73 109.329 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.28000000000000003 109.713 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.93 -41.76 98.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.31 109.502 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.1 -40.95 91.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.957 . . . . 1.9099999999999999 109.322 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.13 -48.86 79.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 109.099 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -60.0 -39.93 87.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.5700000000000001 109.466 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.511 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.6 m-20 -59.58 -39.1 83.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 1.4399999999999999 109.639 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.56 86.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.18 -0.95 . . . . 0.64000000000000001 109.003 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' GLN . . . . . 0.428 HE22 HD11 ' C' ' 32' ' ' LEU . 96.3 mt-30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.141 -0.975 . . . . 1.21 109.451 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.366 -0.605 . . . . 1.7 109.366 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.0 140.05 38.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.774 . . . . 0.60999999999999999 109.806 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -134.39 139.89 45.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.57999999999999996 109.174 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 p -87.85 158.16 18.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.86 . . . . 0.41999999999999998 108.77 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.8 126.94 12.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.35999999999999999 109.413 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.01 34.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 1.3700000000000001 108.399 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 119.95 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.424 -0.797 . . . . 0.46999999999999997 109.393 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.33 149.49 33.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 2.1000000000000001 110.101 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 117.6 0.91 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.03 -1.228 . . . . 0.41999999999999998 110.03 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 46.4 ttt-85 -62.45 -41.57 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -1.1 . . . . 2.6800000000000002 109.514 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.12 -40.56 90.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 2.2200000000000002 109.774 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -63.44 -39.93 95.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 2.77 109.582 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.22 -49.69 76.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.42999999999999999 109.387 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 17' ' ' ARG . 98.8 mt-10 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.097 -1.002 . . . . 1.6599999999999999 108.779 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.2 ttp -62.93 -52.13 64.24 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.279 -0.888 . . . . 0.44 109.448 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.08 -42.35 99.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.271 -0.893 . . . . 0.28999999999999998 108.88 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.593 -0.891 . . . . 2.4399999999999999 108.593 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.08 -49.72 76.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -0.832 . . . . 1.74 108.852 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.4 -45.15 94.62 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.925 . . . . 0.29999999999999999 108.501 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.94 -49.88 75.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.798 . . . . 1.22 109.193 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -39.9 93.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.502 -0.749 . . . . 1.72 109.829 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.64 -46.52 86.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.232 -0.917 . . . . 0.27000000000000002 109.29 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.45 -41.21 98.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.104 -0.997 . . . . 0.28999999999999998 108.865 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.22 -42.9 96.18 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.26 -0.9 . . . . 1.9099999999999999 108.916 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.15 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.498 -0.751 . . . . 0.40999999999999998 109.437 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.4 -43.64 98.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 1.5600000000000001 109.297 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.47 -0.769 . . . . 1.4299999999999999 110.01 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -0.937 . . . . 0.66000000000000003 109.642 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.237 -0.915 . . . . 1.1799999999999999 109.907 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.49 -0.559 . . . . 1.6100000000000001 109.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.84 140.27 38.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.424 -0.798 . . . . 0.56999999999999995 109.88 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -134.77 139.28 45.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.431 -0.793 . . . . 0.53000000000000003 109.204 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.3 p -87.53 157.58 19.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 0.38 108.671 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 tp -147.45 126.84 13.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.955 -1.091 . . . . 0.35999999999999999 109.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.4 34.45 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.242 -1.021 . . . . 1.3600000000000001 108.242 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.06 120.09 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.48999999999999999 109.346 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.1 149.33 33.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.426 -0.796 . . . . 2.1000000000000001 109.928 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.97 117.33 0.95 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.134 -1.187 . . . . 0.44 110.134 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.44 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 45.3 ttt-85 -61.93 -42.29 98.94 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -1.175 . . . . 2.7200000000000002 109.684 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.12 -40.24 89.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.933 . . . . 2.21 109.726 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.6 ttm180 -63.65 -39.87 95.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.933 . . . . 2.79 109.664 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.13 -49.79 75.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.849 . . . . 0.45000000000000001 109.165 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.7 mt-10 -59.82 -40.76 89.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.071 -1.018 . . . . 1.6799999999999999 108.957 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 33.6 ttp -63.03 -51.46 66.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.42999999999999999 109.375 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -63.79 -42.71 97.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.28000000000000003 108.901 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.57 -43.43 93.6 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.28 -0.888 . . . . 2.52 108.645 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -49.51 77.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 1.75 108.822 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.0 -44.8 96.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.158 -0.963 . . . . 0.31 108.541 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.34 -49.96 75.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.815 . . . . 1.21 109.223 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.549 -0.719 . . . . 1.6899999999999999 109.629 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.2 -46.87 87.31 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.166 -0.959 . . . . 0.27000000000000002 109.409 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.75 -41.31 97.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 0.29999999999999999 108.755 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.69 94.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.9299999999999999 109.063 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.27 -50.08 75.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.40000000000000002 109.462 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.24 -43.95 98.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 1.5900000000000001 109.292 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.02 -40.19 88.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 1.4299999999999999 109.894 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.93 94.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 0.65000000000000002 109.636 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 1.1899999999999999 109.71 -179.666 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 109.356 -0.609 . . . . 2.1099999999999999 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.3 140.31 38.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.405 -0.809 . . . . 0.64000000000000001 109.779 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -134.84 139.0 44.72 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.353 -0.842 . . . . 0.48999999999999999 109.282 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -87.23 158.2 19.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.888 . . . . 0.46999999999999997 108.728 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 tp -147.79 127.54 13.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.102 -0.999 . . . . 0.41999999999999998 109.181 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -87.46 125.95 34.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.328 -0.99 . . . . 1.8100000000000001 108.328 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.93 119.96 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.392 -0.817 . . . . 0.41999999999999998 109.525 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -78.13 147.39 34.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 2.3500000000000001 110.29 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.36 118.24 1.23 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.834 -1.306 . . . . 0.40999999999999998 109.834 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.484 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 43.1 ttt-85 -63.21 -40.55 97.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -1.114 . . . . 2.5899999999999999 109.695 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.3 -40.43 94.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.174 -0.954 . . . . 2.54 109.559 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.36 -39.77 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 3.3900000000000001 109.508 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.37 -49.76 76.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.255 -0.903 . . . . 0.46999999999999997 109.114 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' GLU . . . . . 0.484 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 99.0 mt-10 -59.93 -40.72 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.939 -1.101 . . . . 1.6599999999999999 109.064 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.0 ttp -62.87 -51.06 68.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.60999999999999999 109.448 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.14 -42.69 96.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.28 -0.888 . . . . 0.33000000000000002 108.826 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.59 -43.07 93.8 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 108.732 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.6 77.03 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.362 -0.836 . . . . 1.78 108.794 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.66 -44.93 95.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 0.38 108.587 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.06 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.38 -0.825 . . . . 1.2 109.246 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.8 -39.97 93.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.411 -0.805 . . . . 2.1200000000000001 109.767 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.84 -46.81 86.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.189 -0.945 . . . . 0.26000000000000001 109.242 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.19 -41.39 98.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.071 -1.018 . . . . 0.40000000000000002 108.828 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.39 -42.65 96.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 2.0899999999999999 108.789 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.498 -0.751 . . . . 0.75 109.508 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -61.48 -43.7 98.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 2.1899999999999999 109.389 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.03 -40.08 88.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 110.087 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.247 -0.908 . . . . 0.71999999999999997 109.578 -179.419 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.341 0.591 . . . . 1.6699999999999999 109.51 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.39 140.66 37.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.364 -0.835 . . . . 0.60999999999999999 109.902 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.85 139.83 45.35 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.405 -0.81 . . . . 0.56000000000000005 109.205 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -87.92 157.71 18.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 108.704 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.87 126.7 12.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.34999999999999998 109.373 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.54 126.36 34.41 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.347 -0.982 . . . . 1.3700000000000001 108.347 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.12 119.95 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.394 -0.816 . . . . 0.47999999999999998 109.446 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -77.87 149.94 34.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 2.0800000000000001 110.04 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 117.74 0.84 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.155 -1.178 . . . . 0.40000000000000002 110.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.489 ' NH1' ' OE2' ' D' ' 21' ' ' GLU . 46.0 ttt-85 -61.97 -42.2 98.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -1.102 . . . . 2.6400000000000001 109.667 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.03 -40.09 88.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.751 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -63.96 -39.29 93.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.288 -0.882 . . . . 2.7400000000000002 109.507 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.76 -49.73 76.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.414 -0.804 . . . . 0.42999999999999999 109.348 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.489 ' OE2' ' NH1' ' D' ' 17' ' ' ARG . 98.9 mt-10 -59.88 -40.28 88.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.056 -1.027 . . . . 1.6899999999999999 108.819 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 31.1 ttp -63.38 -52.41 61.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.227 -0.92 . . . . 0.42999999999999999 109.534 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -63.11 -42.32 99.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.27000000000000002 108.887 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.8 -43.24 94.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.231 -0.918 . . . . 2.4500000000000002 108.703 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.82 76.15 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.28 -0.888 . . . . 1.75 108.849 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -44.63 96.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.237 -0.914 . . . . 0.31 108.544 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.1 -49.97 75.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.442 -0.786 . . . . 1.22 109.231 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.58 -39.83 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 1.73 109.946 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.09 -46.61 87.86 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.217 -0.927 . . . . 0.28000000000000003 109.509 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.082 -1.011 . . . . 0.31 108.736 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.5 -42.67 96.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.344 -0.848 . . . . 1.9099999999999999 108.913 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.11 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.42999999999999999 109.568 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.4 -43.7 98.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 1.5700000000000001 109.229 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.425 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 94.3 m-20 -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 110.039 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.0 94.16 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.067 -1.021 . . . . 0.64000000000000001 109.739 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 1.21 109.839 -179.75 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.407 0.622 . . . . 1.7 110.133 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.409 -0.807 . . . . 0.60999999999999999 109.0 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.21 140.28 51.54 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 110.217 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -90.02 151.86 21.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.372 -0.83 . . . . 0.41999999999999998 108.858 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -146.68 134.05 20.72 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.027 -1.046 . . . . 0.35999999999999999 109.816 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.07 34.91 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.718 -0.845 . . . . 1.3700000000000001 108.718 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.1 121.3 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.472 -0.767 . . . . 0.46999999999999997 109.964 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.24 146.97 38.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.569 -0.707 . . . . 2.1000000000000001 110.394 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.58 125.32 0.62 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.671 -0.972 . . . . 0.41999999999999998 110.671 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -65.22 -43.02 92.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.357 -1.084 . . . . 2.6800000000000002 109.459 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.05 -40.06 88.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.037 . . . . 2.2200000000000002 109.616 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.3 ttm180 -61.33 -40.0 92.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.206 -0.934 . . . . 2.77 108.819 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.1 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.42999999999999999 109.541 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.56 -42.09 91.65 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 1.6599999999999999 108.896 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 43.2 ttp -62.89 -49.7 73.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.337 -0.852 . . . . 0.44 109.269 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.71 -39.97 90.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.28999999999999998 109.247 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -57.59 -47.04 83.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.207 -0.933 . . . . 2.4399999999999999 108.714 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -45.36 93.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.226 -0.921 . . . . 1.74 109.325 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.09 -43.33 98.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 0.29999999999999999 110.035 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -59.96 -49.98 75.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 1.22 109.409 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -62.24 -39.96 94.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.464 -0.773 . . . . 1.72 109.513 179.679 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.26 74.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.921 . . . . 0.27000000000000002 109.667 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.39 -43.05 98.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.28999999999999998 109.438 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' HH12 ' C' ' 19' ' ' ARG . 43.4 mt-10 -60.78 -40.07 91.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.95 . . . . 1.9099999999999999 109.438 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.44 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.322 -0.862 . . . . 0.40999999999999998 109.283 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.65 -49.53 76.16 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.34 -0.85 . . . . 1.5600000000000001 109.52 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.427 -0.796 . . . . 1.4299999999999999 109.838 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.4 66.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.999 . . . . 0.66000000000000003 109.675 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.513 ' NE2' ' OE1' ' B' ' 36' ' ' GLN . 94.3 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 1.1799999999999999 109.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.439 0.637 . . . . 1.6100000000000001 110.05 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -96.74 145.21 26.01 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.362 -0.836 . . . . 0.56999999999999995 109.021 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.9 140.18 51.79 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 0.53000000000000003 110.255 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -89.92 151.9 21.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.405 -0.81 . . . . 0.38 108.883 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -146.54 133.8 20.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.958 -1.089 . . . . 0.35999999999999999 109.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -84.12 128.94 34.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.764 -0.828 . . . . 1.3600000000000001 108.764 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.05 121.12 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.398 -0.814 . . . . 0.48999999999999999 110.214 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.26 147.41 38.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.52 -0.737 . . . . 2.1000000000000001 110.353 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.47 124.8 0.58 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.69 -0.964 . . . . 0.44 110.69 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -64.6 -43.41 93.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -1.084 . . . . 2.7200000000000002 109.521 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -0.99 . . . . 2.21 109.639 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.06 92.27 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 2.79 108.941 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.91 -49.04 79.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.45000000000000001 109.605 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.94 -42.75 90.51 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.139 -0.976 . . . . 1.6799999999999999 108.892 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 43.2 ttp -62.27 -50.02 73.35 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.272 -0.892 . . . . 0.42999999999999999 109.433 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.19 -40.09 88.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.28000000000000003 109.199 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -58.08 -46.79 84.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.296 -0.877 . . . . 2.52 108.767 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.17 -45.33 93.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.203 -0.936 . . . . 1.75 109.186 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.38 -43.02 98.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.31 110.055 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -60.03 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.084 -1.01 . . . . 1.21 109.23 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -62.23 -39.97 94.58 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.66 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.09 75.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.209 -0.932 . . . . 0.27000000000000002 109.689 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.48 -43.06 98.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.368 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' CG ' HH12 ' D' ' 19' ' ' ARG . 42.7 mt-10 -60.59 -40.23 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 1.9299999999999999 109.474 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.05 -49.95 75.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.309 -0.869 . . . . 0.40000000000000002 109.344 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.62 -49.43 76.6 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.403 -0.81 . . . . 1.5900000000000001 109.556 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.525 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.7 m-20 -60.01 -40.25 88.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.365 -0.834 . . . . 1.4299999999999999 110.045 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.84 68.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.116 -0.99 . . . . 0.65000000000000002 109.626 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.513 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 27.5 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 1.1899999999999999 109.655 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.381 0.61 . . . . 2.1099999999999999 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.83 146.79 24.58 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.438 -0.789 . . . . 0.64000000000000001 108.872 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.66 140.05 50.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.245 -0.909 . . . . 0.48999999999999999 110.079 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -89.81 151.8 21.6 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.875 -0.787 . . . . 0.46999999999999997 108.875 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.45 133.88 20.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.051 -1.031 . . . . 0.41999999999999998 109.738 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -83.86 129.35 34.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.655 -0.869 . . . . 1.8100000000000001 108.655 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.44 121.36 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.389 -0.82 . . . . 0.41999999999999998 110.044 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -76.57 147.53 37.61 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.537 -0.727 . . . . 2.3500000000000001 110.332 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.28 125.67 0.6 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.679 -0.968 . . . . 0.40999999999999998 110.679 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.5 -43.07 91.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -1.075 . . . . 2.5899999999999999 109.426 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.2 -40.11 88.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 2.54 109.602 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 40.8 ttm180 -61.09 -39.98 92.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.207 -0.933 . . . . 3.3900000000000001 108.978 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -60.1 -48.67 80.75 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.46999999999999997 109.62 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.22 -42.26 90.56 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.114 -0.991 . . . . 1.6599999999999999 108.946 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 44.8 ttp -62.95 -49.67 73.83 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.358 -0.839 . . . . 0.60999999999999999 109.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.5 -40.02 89.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.335 -0.853 . . . . 0.33000000000000002 109.091 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -58.09 -46.48 85.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.317 -0.865 . . . . 3.2799999999999998 108.809 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -45.57 92.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 1.78 109.263 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.19 -42.81 99.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.38 110.071 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -59.98 -50.06 75.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.017 -1.052 . . . . 1.2 109.318 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -62.26 -40.02 94.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 2.1200000000000001 109.545 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.485 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.54 -50.45 73.75 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.28 -0.888 . . . . 0.26000000000000001 109.724 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.153 -0.967 . . . . 0.40000000000000002 109.412 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.47 ' CG ' HH12 ' A' ' 19' ' ' ARG . 42.8 mt-10 -60.61 -40.26 91.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 2.0899999999999999 109.493 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.13 -49.99 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.75 109.334 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.65 -49.32 77.03 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.476 -0.765 . . . . 2.1899999999999999 109.582 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.2 m-20 -60.14 -40.51 90.08 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 1.3400000000000001 110.084 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.166 -0.959 . . . . 0.71999999999999997 109.622 -179.546 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.5 0.667 . . . . 1.6699999999999999 110.096 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.12 144.95 26.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 109.086 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.88 140.05 51.86 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.3 -0.875 . . . . 0.56000000000000005 110.258 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -89.84 152.17 21.4 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.92 -0.77 . . . . 0.42999999999999999 108.92 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -146.81 133.98 20.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.964 -1.085 . . . . 0.34999999999999998 109.829 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.06 34.91 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.632 -0.877 . . . . 1.3700000000000001 108.632 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.06 121.42 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.379 -0.825 . . . . 0.47999999999999998 110.216 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -76.33 147.66 37.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.518 -0.739 . . . . 2.0800000000000001 110.367 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.16 125.5 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.717 -0.953 . . . . 0.40000000000000002 110.717 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.3 -43.18 91.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -1.108 . . . . 2.6400000000000001 109.473 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.01 -40.17 88.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 109.725 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.525 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.0 92.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.156 -0.965 . . . . 2.7400000000000002 108.94 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.99 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.342 -0.848 . . . . 0.42999999999999999 109.437 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.09 -42.64 90.92 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.139 -0.975 . . . . 1.6899999999999999 108.846 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 44.7 ttp -62.72 -49.46 74.95 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.267 -0.895 . . . . 0.42999999999999999 109.351 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.7 -39.99 90.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.27000000000000002 109.164 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -58.12 -46.54 85.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.296 -0.877 . . . . 2.4500000000000002 108.774 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.14 -45.77 91.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.838 . . . . 1.75 109.333 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.26 -42.7 99.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.31 110.04 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.16 -49.92 75.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.034 -1.041 . . . . 1.22 109.351 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 28' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' D' ' 28' ' ' GLU . 0.3 OUTLIER -62.51 -39.98 95.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.49 -0.756 . . . . 1.73 109.467 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.485 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.71 -50.01 75.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.28000000000000003 109.665 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -42.48 97.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.195 -0.94 . . . . 0.31 109.457 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.24 -40.01 92.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.9099999999999999 109.415 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.07 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.42999999999999999 109.254 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.61 -49.52 76.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.451 -0.781 . . . . 1.5700000000000001 109.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.2 m-20 -60.01 -39.99 87.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.41 -0.806 . . . . 1.4399999999999999 110.007 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.14 67.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.949 . . . . 0.64000000000000001 109.527 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.312 -0.868 . . . . 1.21 109.591 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.328 0.585 . . . . 1.7 110.055 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -110.65 141.51 43.78 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 109.051 -0.722 . . . . 0.60999999999999999 109.051 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -133.48 139.55 46.73 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.938 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.8 p -89.0 155.4 19.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.36 -0.838 . . . . 0.41999999999999998 108.798 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -147.15 129.91 16.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.964 -1.085 . . . . 0.35999999999999999 109.534 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -83.03 128.37 34.41 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.749 -0.834 . . . . 1.3700000000000001 108.749 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.98 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.489 -0.757 . . . . 0.46999999999999997 109.603 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -75.73 147.42 39.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 2.1000000000000001 110.018 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.05 121.9 0.52 Allowed Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.346 -1.102 . . . . 0.41999999999999998 110.346 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 17' ' ' ARG . 34.5 ttt-85 -64.49 -40.83 96.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.112 . . . . 2.6800000000000002 109.605 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.76 -40.68 93.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 2.2200000000000002 109.141 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.28 -40.05 89.05 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.909 -0.775 . . . . 2.77 108.909 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.23 -49.22 78.69 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.41 -0.806 . . . . 0.42999999999999999 109.32 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.3 88.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.978 -1.076 . . . . 1.6599999999999999 108.639 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.85 -49.92 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 0.44 108.761 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.77 -40.02 96.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.673 -0.862 . . . . 0.28999999999999998 108.673 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 24' ' ' ARG . 22.3 ttt-85 -56.89 -46.59 81.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.418 -0.801 . . . . 2.4399999999999999 109.041 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.95 -47.99 83.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.296 -0.878 . . . . 1.74 108.891 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.98 -45.9 91.59 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.305 -0.872 . . . . 0.29999999999999999 108.929 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.92 -50.1 75.1 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.301 -0.875 . . . . 1.22 109.635 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.34 -39.94 94.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 1.72 109.549 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.29 82.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.186 -0.946 . . . . 0.27000000000000002 109.336 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.124 -0.985 . . . . 0.28999999999999998 109.24 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -41.69 93.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 1.9099999999999999 109.232 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.28 -44.15 97.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.326 -0.991 . . . . 0.40999999999999998 108.326 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HZ1' ' CD ' ' B' ' 28' ' ' GLU . 20.0 ttmm -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.031 -0.729 . . . . 1.5600000000000001 109.031 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.0 -39.96 87.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.104 -0.997 . . . . 1.4299999999999999 108.991 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.93 93.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.332 -0.855 . . . . 0.66000000000000003 108.946 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.343 -0.848 . . . . 1.1799999999999999 109.57 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.424 0.63 . . . . 1.6100000000000001 109.92 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -110.68 141.99 43.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.6 -0.688 . . . . 0.56999999999999995 109.204 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.28 139.08 45.47 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.243 -0.91 . . . . 0.53000000000000003 109.997 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -89.3 154.98 19.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.882 . . . . 0.38 108.658 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.8 tp -146.66 130.28 16.93 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.053 -1.029 . . . . 0.35999999999999999 109.606 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.19 128.35 34.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 108.84 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 119.99 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.414 -0.804 . . . . 0.48999999999999999 109.807 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.56 147.01 40.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.449 -0.782 . . . . 2.1000000000000001 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.31 122.36 0.57 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.218 -1.153 . . . . 0.44 110.218 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 33.4 ttt-85 -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -1.123 . . . . 2.7200000000000002 109.41 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.53 -41.49 94.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 2.21 109.144 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.898 -0.778 . . . . 2.79 108.898 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.34 -49.48 77.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.395 -0.816 . . . . 0.45000000000000001 109.386 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.423 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.9 mt-10 -59.79 -40.26 87.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.949 -1.094 . . . . 1.6799999999999999 108.62 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -60.61 -50.02 75.21 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.381 -0.825 . . . . 0.42999999999999999 108.873 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.68 -40.05 95.88 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.621 -0.881 . . . . 0.28000000000000003 108.621 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' B' ' 24' ' ' ARG . 23.3 ttt-85 -56.7 -46.59 81.13 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.438 -0.789 . . . . 2.52 109.051 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.02 -48.02 83.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.26 -0.9 . . . . 1.75 108.833 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.24 -45.54 92.88 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.262 -0.899 . . . . 0.31 108.934 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 -50.29 74.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.347 -0.846 . . . . 1.21 109.64 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.586 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 86.0 tt0 -62.27 -40.0 94.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 109.493 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.78 80.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.27000000000000002 109.387 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.59 -41.47 98.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.29999999999999999 109.244 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.09 -41.68 93.01 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.092 -1.005 . . . . 1.9299999999999999 109.217 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.46 -44.15 97.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.24 -1.022 . . . . 0.40000000000000002 108.24 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -59.99 -39.91 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.541 -0.724 . . . . 1.5900000000000001 109.074 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.9 . . . . 1.4299999999999999 108.892 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.02 94.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.009 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.1899999999999999 109.54 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.362 0.601 . . . . 2.1099999999999999 109.942 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -110.96 141.68 44.07 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.02 -0.733 . . . . 0.64000000000000001 109.02 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.61 139.71 46.68 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.258 -0.901 . . . . 0.48999999999999999 109.975 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 60.7 p -89.24 155.44 19.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.643 -0.873 . . . . 0.46999999999999997 108.643 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.47 129.49 15.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.036 -1.04 . . . . 0.41999999999999998 109.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.5 128.58 34.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 1.8100000000000001 108.795 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.02 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.365 -0.835 . . . . 0.41999999999999998 109.66 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -75.77 147.25 39.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.39 -0.818 . . . . 2.3500000000000001 110.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 122.43 0.58 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.235 -1.146 . . . . 0.40999999999999998 110.235 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 34.5 ttt-85 -64.68 -41.08 96.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.342 -1.093 . . . . 2.5899999999999999 109.643 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.76 -40.97 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 2.54 109.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.95 -40.12 87.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.451 -0.781 . . . . 3.3900000000000001 108.912 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.32 -49.19 78.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.46999999999999997 109.353 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 98.9 mt-10 -59.95 -40.22 88.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.065 . . . . 1.6599999999999999 108.6 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.4 ttp -60.82 -49.98 75.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.439 -0.788 . . . . 0.60999999999999999 109.058 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.02 -40.02 96.5 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.574 -0.899 . . . . 0.33000000000000002 108.574 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' C' ' 24' ' ' ARG . 21.7 ttt-85 -56.84 -46.57 81.62 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.479 -0.763 . . . . 3.2799999999999998 109.029 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.02 -48.23 82.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 1.78 108.792 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.81 -45.89 91.87 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.213 -0.93 . . . . 0.38 109.043 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.98 -50.36 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.2 109.532 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.656 ' CD ' ' HZ1' ' D' ' 33' ' ' LYS . 85.8 tt0 -61.9 -40.03 94.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.915 . . . . 2.1200000000000001 109.5 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.75 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.301 -0.875 . . . . 0.26000000000000001 109.392 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.27 -41.77 98.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.113 -0.992 . . . . 0.40000000000000002 109.137 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -41.81 93.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 2.0899999999999999 109.294 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.35 -43.95 98.01 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.265 -1.013 . . . . 0.75 108.265 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.547 ' HZ1' ' CD ' ' D' ' 28' ' ' GLU . 19.8 ttmm -60.14 -39.99 88.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.552 -0.718 . . . . 2.1899999999999999 109.09 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.206 -0.934 . . . . 1.3400000000000001 108.979 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.364 -0.835 . . . . 0.71999999999999997 108.886 179.401 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.325 0.583 . . . . 1.6699999999999999 109.91 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -110.98 141.93 43.77 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.175 -0.676 . . . . 0.60999999999999999 109.175 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -133.88 139.06 45.96 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.263 -0.898 . . . . 0.56000000000000005 109.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.99 154.93 19.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 108.666 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -146.47 130.28 17.12 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.032 -1.042 . . . . 0.34999999999999998 109.46 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -83.3 128.28 34.37 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.577 -0.898 . . . . 1.3700000000000001 108.577 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -120.03 120.02 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.41 -0.806 . . . . 0.47999999999999998 109.791 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.9 147.14 39.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.514 -0.742 . . . . 2.0800000000000001 110.012 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.48 122.09 0.58 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.281 -1.128 . . . . 0.40000000000000002 110.281 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' D' ' 17' ' ' ARG . 35.0 ttt-85 -64.44 -41.23 96.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -1.103 . . . . 2.6400000000000001 109.421 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.57 -40.95 93.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.13 -0.981 . . . . 2.2200000000000002 109.156 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.05 -40.12 88.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.841 . . . . 2.7400000000000002 109.025 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.07 -48.97 79.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.42999999999999999 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.99 -40.57 89.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.909 -1.119 . . . . 1.6899999999999999 108.75 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -60.8 -50.14 74.67 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.374 -0.829 . . . . 0.42999999999999999 108.918 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.75 -39.94 95.7 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.634 -0.876 . . . . 0.27000000000000002 108.634 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 24' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' D' ' 24' ' ' ARG . 22.9 ttt-85 -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.473 -0.767 . . . . 2.4500000000000002 109.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -47.98 83.64 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.859 . . . . 1.75 108.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.0 -45.77 92.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.155 -0.966 . . . . 0.31 108.865 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.01 -50.33 74.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.358 -0.839 . . . . 1.22 109.617 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' GLU . . . . . 0.547 ' CD ' ' HZ1' ' C' ' 33' ' ' LYS . 85.9 tt0 -62.03 -40.02 94.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 1.73 109.429 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.83 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.187 -0.946 . . . . 0.28000000000000003 109.363 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.95 -42.11 98.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.985 . . . . 0.31 109.157 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -41.16 92.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 1.9099999999999999 109.34 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -43.98 97.74 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.207 -1.034 . . . . 0.42999999999999999 108.207 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' LYS . . . . . 0.656 ' HZ1' ' CD ' ' C' ' 28' ' ' GLU . 19.7 ttmm -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.049 -0.723 . . . . 1.5700000000000001 109.049 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.08 -39.88 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.053 -1.03 . . . . 1.4399999999999999 108.979 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.99 94.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.64000000000000001 108.871 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 1.21 109.473 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.561 0.696 . . . . 1.7 109.89 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -103.04 140.38 37.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 0.60999999999999999 109.461 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.42 139.2 50.6 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.435 -0.791 . . . . 0.57999999999999996 109.49 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.0 p -88.63 156.34 19.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.376 -0.827 . . . . 0.41999999999999998 108.795 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.95 129.96 15.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.922 . . . . 0.35999999999999999 109.081 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -84.49 129.0 34.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 1.3700000000000001 109.097 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.83 119.96 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.486 -0.759 . . . . 0.46999999999999997 109.434 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -77.59 149.69 34.79 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.17 -0.956 . . . . 2.1000000000000001 110.219 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.66 124.47 0.47 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 110.37 -1.092 . . . . 0.41999999999999998 110.37 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.87 -40.06 91.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -1.072 . . . . 2.6800000000000002 109.552 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.96 -42.41 94.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.199 -0.938 . . . . 2.2200000000000002 108.766 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.65 -40.91 98.52 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 2.77 108.573 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 109.64 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.055 -1.028 . . . . 1.6599999999999999 108.293 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.7 ttp -61.55 -49.92 74.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.44 109.54 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.09 -40.09 94.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.28999999999999998 109.672 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 28.4 ttm-85 -59.2 -41.2 87.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.023 -1.048 . . . . 2.4399999999999999 108.932 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.93 -49.21 78.59 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.44 -48.52 80.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.29999999999999999 108.665 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.498 -0.751 . . . . 1.22 108.982 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.502 ' HB3' ' HZ1' ' B' ' 33' ' ' LYS . 88.3 tt0 -60.05 -41.42 92.27 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 1.72 109.107 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.01 -49.45 77.61 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 109.335 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.15 -43.07 99.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -0.985 . . . . 0.28999999999999998 109.251 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -40.15 90.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.252 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.01 -49.49 77.46 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.454 -0.943 . . . . 0.40999999999999998 108.454 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.02 -39.92 87.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.451 -0.78 . . . . 1.5600000000000001 109.151 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.365 -0.835 . . . . 1.4299999999999999 109.425 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.0 94.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.427 -0.796 . . . . 0.66000000000000003 109.746 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.095 -1.003 . . . . 1.1799999999999999 109.733 -179.842 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.63 . . . . 1.6100000000000001 109.942 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.1 141.22 35.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.473 -0.767 . . . . 0.56999999999999995 109.496 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -131.3 138.2 49.15 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.45 -0.781 . . . . 0.53000000000000003 109.648 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -88.1 155.09 19.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.38 109.133 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -146.84 129.91 16.42 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.35999999999999999 109.155 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.31 128.46 34.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.3600000000000001 109.093 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.37 120.0 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.418 -0.801 . . . . 0.48999999999999999 109.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -77.37 149.67 35.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 2.1000000000000001 110.086 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.46 126.37 0.54 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.211 -1.156 . . . . 0.44 110.211 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -67.57 -39.92 84.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.475 -1.015 . . . . 2.7200000000000002 109.45 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.04 -42.51 94.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.19 -0.943 . . . . 2.21 108.796 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.44 -40.72 97.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.253 -0.904 . . . . 2.79 108.621 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.08 -49.87 75.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.445 -0.785 . . . . 0.45000000000000001 109.64 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.6 -49.6 75.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.614 -0.679 . . . . 0.42999999999999999 109.412 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.09 -40.42 95.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.473 -0.767 . . . . 0.28000000000000003 109.504 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 24' ' ' ARG . 27.7 ttm-85 -59.29 -41.22 88.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.068 -1.02 . . . . 2.52 109.046 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -49.28 78.26 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.501 -0.926 . . . . 1.75 108.501 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.29 -48.51 81.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.31 108.738 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.02 -48.52 81.37 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.835 -0.802 . . . . 1.21 108.835 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -41.32 91.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.407 -0.808 . . . . 1.6899999999999999 109.202 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.96 -49.02 79.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.27000000000000002 109.44 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.56 -42.71 99.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 0.29999999999999999 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.99 -40.06 92.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 1.9299999999999999 108.998 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.98 -49.76 76.4 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.521 -0.918 . . . . 0.40000000000000002 108.521 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' A' ' 28' ' ' GLU . 35.2 ttmt -60.0 -40.0 87.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.549 -0.72 . . . . 1.5900000000000001 109.066 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.389 -0.819 . . . . 1.4299999999999999 109.477 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.22 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.807 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.1899999999999999 109.798 -179.588 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.385 0.612 . . . . 2.1099999999999999 109.956 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.91 141.2 36.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.676 -0.64 . . . . 0.64000000000000001 109.47 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -131.04 138.58 49.68 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.447 -0.783 . . . . 0.48999999999999999 109.656 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 44.5 p -88.39 155.97 19.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.307 -0.871 . . . . 0.46999999999999997 109.108 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -147.68 129.98 15.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.181 -0.949 . . . . 0.41999999999999998 109.227 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.81 129.05 34.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 1.8100000000000001 109.004 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.7 119.99 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.519 -0.738 . . . . 0.41999999999999998 109.335 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -77.46 149.95 35.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.3500000000000001 109.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.27 125.99 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.515 -1.034 . . . . 0.40999999999999998 110.515 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.13 -40.0 86.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -1.03 . . . . 2.5899999999999999 109.302 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.05 -43.1 95.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.009 . . . . 2.54 108.919 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.8 -40.97 97.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 3.3900000000000001 108.84 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.01 -50.01 75.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.46999999999999997 109.487 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -40.42 89.58 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.17 -1.048 . . . . 1.6599999999999999 108.17 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.5 ttp -61.46 -49.98 74.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.694 -0.629 . . . . 0.60999999999999999 109.445 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.72 -40.12 93.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.476 -0.765 . . . . 0.33000000000000002 109.671 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -59.31 -41.11 88.25 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.931 -1.105 . . . . 3.2799999999999998 109.053 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.81 80.17 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 1.78 108.504 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.38 108.605 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.06 -48.83 80.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 1.2 108.852 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.02 -41.29 91.86 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.379 -0.825 . . . . 2.1200000000000001 109.057 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.679 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.283 -0.885 . . . . 0.26000000000000001 109.363 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -42.66 99.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 0.40000000000000002 109.306 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.83 -40.24 92.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 2.0899999999999999 109.236 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.01 -49.66 76.78 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.497 -0.927 . . . . 0.75 108.497 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.677 ' HZ1' ' HB3' ' D' ' 28' ' ' GLU . 34.8 ttmt -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.474 -0.766 . . . . 2.1899999999999999 109.084 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.96 -39.99 87.51 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.357 -0.839 . . . . 1.3400000000000001 109.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.294 -0.878 . . . . 0.71999999999999997 109.925 -179.601 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.362 0.601 . . . . 1.6699999999999999 109.875 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.98 140.81 36.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.582 -0.699 . . . . 0.60999999999999999 109.353 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.22 139.6 50.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.515 -0.741 . . . . 0.56000000000000005 109.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -88.96 155.91 19.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 108.942 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -147.64 129.8 15.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.11 -0.994 . . . . 0.34999999999999998 109.073 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.58 128.71 34.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.3700000000000001 108.995 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.73 120.0 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.406 -0.809 . . . . 0.47999999999999998 109.28 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -77.16 149.87 35.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 2.0800000000000001 110.035 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.99 125.21 0.43 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.469 -1.052 . . . . 0.40000000000000002 110.469 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -66.33 -40.04 89.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.435 -1.038 . . . . 2.6400000000000001 109.577 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.18 93.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.053 -1.029 . . . . 2.2200000000000002 108.928 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.59 -40.87 98.3 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.676 -0.861 . . . . 2.7400000000000002 108.676 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -59.96 -50.08 75.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.599 -0.688 . . . . 0.42999999999999999 109.597 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.29 88.57 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.02 -1.104 . . . . 1.6899999999999999 108.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 60.5 ttp -61.16 -49.95 75.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.41 0.624 . . . . 0.42999999999999999 109.622 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.05 -40.33 95.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.453 -0.779 . . . . 0.27000000000000002 109.565 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 24' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' D' ' 24' ' ' ARG . 29.3 ttm-85 -59.37 -41.12 88.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.096 -1.002 . . . . 2.4500000000000002 109.031 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -48.79 80.25 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.386 -0.968 . . . . 1.75 108.386 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.95 -48.5 80.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.31 108.788 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.97 -48.47 81.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.46 -0.775 . . . . 1.22 108.926 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 28' ' ' GLU . . . . . 0.677 ' HB3' ' HZ1' ' C' ' 33' ' ' LYS . 88.4 tt0 -59.98 -41.46 92.06 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.393 -0.817 . . . . 1.73 109.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.679 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.0 -50.01 75.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -0.846 . . . . 0.28000000000000003 109.299 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.73 -42.66 97.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.326 -0.859 . . . . 0.31 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.03 -40.15 92.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 109.032 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.599 -0.889 . . . . 0.42999999999999999 108.599 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.01 -40.03 87.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.466 -0.771 . . . . 1.5700000000000001 109.179 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -39.98 87.87 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.411 -0.805 . . . . 1.4399999999999999 109.421 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.0 93.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.805 . . . . 0.64000000000000001 109.78 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.041 -1.037 . . . . 1.21 109.667 -179.783 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 52.5 mp0 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.116 -0.698 . . . . 1.7 109.116 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -96.34 141.62 29.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.362 -0.836 . . . . 0.60999999999999999 109.773 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.69 142.63 48.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.48 -0.762 . . . . 0.57999999999999996 109.636 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.3 p -90.13 154.87 19.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.247 -0.908 . . . . 0.41999999999999998 109.029 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -148.5 132.52 17.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.084 -1.01 . . . . 0.35999999999999999 109.657 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.18 127.52 34.3 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.249 -0.907 . . . . 1.3700000000000001 108.976 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.38 120.06 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.333 -0.855 . . . . 0.46999999999999997 109.803 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -77.32 148.99 35.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.349 -0.844 . . . . 2.1000000000000001 110.028 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.9 115.97 0.35 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.234 -1.147 . . . . 0.41999999999999998 110.234 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -60.95 -41.51 96.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -1.085 . . . . 2.6800000000000002 109.367 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.061 . . . . 2.2200000000000002 108.832 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.502 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.7 ttm180 -62.47 -40.06 95.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.589 -0.893 . . . . 2.77 108.589 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.04 -49.76 76.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.28 -0.888 . . . . 0.42999999999999999 109.075 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.83 -40.49 88.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.19 -0.944 . . . . 1.6599999999999999 108.532 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 24.5 ttp -63.27 -49.98 71.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.434 -0.791 . . . . 0.44 109.074 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.19 -40.34 97.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.347 -0.846 . . . . 0.28999999999999998 109.193 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.8 -44.13 94.11 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.106 -0.996 . . . . 2.4399999999999999 108.833 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.03 87.51 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.311 -0.868 . . . . 1.74 108.993 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.32 -43.6 97.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.197 -0.939 . . . . 0.29999999999999999 109.119 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.348 -0.845 . . . . 1.22 109.497 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -39.94 95.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.51 -0.744 . . . . 1.72 109.624 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.675 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.73 -49.06 79.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.27000000000000002 109.618 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.57 -43.48 97.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.28999999999999998 109.112 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -40.0 89.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.866 . . . . 1.9099999999999999 109.269 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 HD22 ' B' ' 32' ' ' LEU . 4.0 tt -63.02 -52.95 60.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.103 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.03 -42.95 95.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.08 -1.013 . . . . 1.5600000000000001 109.423 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 96.1 m-20 -60.1 -39.93 87.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.345 -0.847 . . . . 1.4299999999999999 109.2 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.42 94.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.66000000000000003 109.349 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 1.1799999999999999 109.277 179.639 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 54.1 mp0 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.155 -0.683 . . . . 1.6100000000000001 109.155 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.8 141.56 29.86 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.293 -0.879 . . . . 0.56999999999999995 109.885 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -133.51 142.82 48.4 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.338 -0.852 . . . . 0.53000000000000003 109.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.38 156.07 18.93 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 0.38 108.967 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -149.66 131.91 15.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.004 -1.06 . . . . 0.35999999999999999 109.625 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.75 127.25 34.02 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.262 -0.898 . . . . 1.3600000000000001 108.93 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.02 120.07 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.35 -0.844 . . . . 0.48999999999999999 109.849 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -77.46 148.93 35.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.28 -0.888 . . . . 2.1000000000000001 110.15 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 116.13 0.32 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.344 -1.103 . . . . 0.44 110.344 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.64 -41.32 94.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.393 -1.063 . . . . 2.7200000000000002 109.693 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.04 -40.38 89.2 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.033 -1.042 . . . . 2.21 108.799 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.8 ttm180 -62.66 -39.93 95.47 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.631 -0.877 . . . . 2.79 108.631 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.99 -49.67 76.76 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.894 -0.78 . . . . 0.45000000000000001 108.894 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -41.53 90.99 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 ttp -62.32 -50.3 72.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.363 -0.836 . . . . 0.42999999999999999 109.16 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.97 -41.04 99.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.509 -0.744 . . . . 0.28000000000000003 109.116 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.32 -44.04 92.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.177 -0.952 . . . . 2.52 108.968 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -47.74 84.58 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 1.75 108.825 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.87 -43.21 99.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.31 109.083 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -50.03 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.28 -0.888 . . . . 1.21 109.243 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -39.95 95.67 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.585 -0.697 . . . . 1.6899999999999999 109.584 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.675 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.02 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.903 . . . . 0.27000000000000002 109.562 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.69 -43.62 97.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.973 -1.079 . . . . 0.29999999999999999 109.152 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -39.94 89.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 1.9299999999999999 109.468 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.624 HD22 HD22 ' A' ' 32' ' ' LEU . 4.0 tt -62.56 -53.25 57.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 0.40000000000000002 109.144 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.13 -42.77 95.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 1.5900000000000001 109.391 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.532 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 1.4299999999999999 109.232 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.52 96.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.338 -0.852 . . . . 0.65000000000000002 109.318 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.861 . . . . 1.1899999999999999 109.471 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 8' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' C' ' 8' ' ' GLU . 55.3 mp0 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.132 -0.692 . . . . 2.1099999999999999 109.132 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.55 140.55 31.02 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.299 -0.876 . . . . 0.64000000000000001 109.978 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.64 142.06 48.92 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.516 -0.74 . . . . 0.48999999999999999 109.617 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 63.7 p -89.19 153.95 20.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 0.46999999999999997 108.965 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -147.77 132.54 17.96 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.953 -1.092 . . . . 0.41999999999999998 109.598 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.06 127.69 34.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.23 -0.919 . . . . 1.8100000000000001 108.984 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.55 119.96 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.355 -0.84 . . . . 0.41999999999999998 109.771 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -77.62 149.5 34.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.26 -0.9 . . . . 2.3500000000000001 110.096 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 116.08 0.32 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.226 -1.15 . . . . 0.40999999999999998 110.226 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -61.24 -41.31 96.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -1.097 . . . . 2.5899999999999999 109.427 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.91 -40.22 88.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.068 -1.02 . . . . 2.54 108.757 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 44.0 ttm180 -62.7 -39.96 95.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.232 -0.918 . . . . 3.3900000000000001 108.734 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.01 -49.66 76.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.46999999999999997 109.114 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.9 -41.07 90.83 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.296 -1.001 . . . . 1.6599999999999999 108.296 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.3 -50.06 73.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.359 -0.838 . . . . 0.60999999999999999 109.122 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.26 -41.18 99.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.33000000000000002 109.091 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -59.32 -43.84 92.64 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.224 -0.922 . . . . 3.2799999999999998 108.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.96 -47.81 84.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.303 -0.873 . . . . 1.78 108.826 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.68 -43.55 98.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.38 109.12 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.13 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.332 -0.855 . . . . 1.2 109.457 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.49 -40.04 95.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.553 -0.717 . . . . 2.1200000000000001 109.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.707 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.42 -49.57 76.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 0.26000000000000001 109.718 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.19 -43.83 95.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.40000000000000002 108.936 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.29 -40.43 90.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.0899999999999999 109.442 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' LEU . . . . . 0.609 HD22 HD22 ' D' ' 32' ' ' LEU . 4.0 tt -62.52 -53.07 60.24 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.489 -0.757 . . . . 0.75 108.999 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.01 -42.94 95.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 2.1899999999999999 109.402 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.502 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 95.3 m-20 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 1.3400000000000001 109.405 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.71999999999999997 109.266 -179.77 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 8' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 53.7 mp0 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.15 -0.685 . . . . 1.6699999999999999 109.15 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.6 141.62 29.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.327 -0.858 . . . . 0.60999999999999999 109.974 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.61 142.52 48.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.509 -0.745 . . . . 0.56000000000000005 109.61 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 64.9 p -89.72 154.29 20.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.29 -0.881 . . . . 0.42999999999999999 108.96 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -148.01 132.37 17.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.05 . . . . 0.34999999999999998 109.685 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.93 127.81 34.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 108.921 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.61 120.1 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.362 -0.837 . . . . 0.47999999999999998 109.907 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -77.69 149.44 34.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.0800000000000001 110.139 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 116.2 0.32 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.262 -1.135 . . . . 0.40000000000000002 110.262 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.08 -41.15 96.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -1.105 . . . . 2.6400000000000001 109.608 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.06 -40.22 88.73 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.935 -1.103 . . . . 2.2200000000000002 108.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.532 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.9 ttm180 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.676 -0.861 . . . . 2.7400000000000002 108.676 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.09 -49.7 76.6 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.43 -0.793 . . . . 0.42999999999999999 109.088 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.0 -40.63 89.85 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.371 -0.974 . . . . 1.6899999999999999 108.371 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 25.5 ttp -62.98 -49.96 72.63 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.414 -0.804 . . . . 0.42999999999999999 108.966 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -40.87 98.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.43 -0.794 . . . . 0.27000000000000002 109.101 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -59.3 -44.24 92.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.069 -1.019 . . . . 2.4500000000000002 108.989 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -47.29 86.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.284 -0.885 . . . . 1.75 108.951 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.29 -43.32 98.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.211 -0.93 . . . . 0.31 109.016 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -50.05 75.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.865 . . . . 1.22 109.32 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.0 95.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.54 -0.725 . . . . 1.73 109.631 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.707 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.79 -48.88 79.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 0.28000000000000003 109.591 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.85 -42.61 98.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.092 -1.005 . . . . 0.31 109.067 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.36 -40.08 92.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.292 -0.88 . . . . 1.9099999999999999 109.191 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 32' ' ' LEU . . . . . 0.609 HD22 HD22 ' C' ' 32' ' ' LEU . 4.0 tt -62.74 -52.37 63.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.461 -0.774 . . . . 0.42999999999999999 109.127 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.49 -43.13 97.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 1.5700000000000001 109.445 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.1 m-20 -60.02 -40.11 88.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 1.4399999999999999 109.478 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.18 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.319 -0.863 . . . . 0.64000000000000001 109.35 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.21 109.382 179.824 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.395 0.617 . . . . 1.7 110.246 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -107.93 146.95 31.7 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.88 -0.785 . . . . 0.60999999999999999 108.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.11 137.2 42.58 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.209 -0.932 . . . . 0.57999999999999996 109.455 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -87.85 153.93 20.94 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.869 -0.789 . . . . 0.41999999999999998 108.869 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 tp -145.66 133.09 20.72 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.028 -1.045 . . . . 0.35999999999999999 109.53 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -83.63 127.32 33.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.843 . . . . 1.3700000000000001 108.985 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.19 119.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.417 -0.802 . . . . 0.46999999999999997 109.524 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -77.51 143.33 38.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.382 -0.824 . . . . 2.1000000000000001 110.232 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.28 124.6 1.38 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.204 -1.159 . . . . 0.41999999999999998 110.204 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -67.48 -40.1 85.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -1.125 . . . . 2.6800000000000002 109.448 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.15 93.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 2.2200000000000002 108.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.08 -39.91 94.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.385 -0.822 . . . . 2.77 109.112 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.88 -49.99 75.53 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.286 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.122 -1.066 . . . . 1.6599999999999999 108.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 53.4 ttp -61.25 -50.72 71.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.48 -0.763 . . . . 0.44 109.55 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.7 -40.18 94.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.435 -0.791 . . . . 0.28999999999999998 109.135 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.37 -45.3 91.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.852 . . . . 2.4399999999999999 108.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.04 -48.5 81.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.727 -0.842 . . . . 1.74 108.727 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.87 -45.11 95.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.201 -0.937 . . . . 0.29999999999999999 108.767 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -60.05 -49.8 76.21 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.329 -0.857 . . . . 1.22 109.065 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.37 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.385 -0.822 . . . . 1.72 109.505 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.6 -49.32 78.2 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.27000000000000002 109.473 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.77 -41.46 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.133 -0.98 . . . . 0.28999999999999998 109.285 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.31 -43.35 96.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -0.992 . . . . 1.9099999999999999 108.886 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 0.40999999999999998 108.863 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -60.24 -39.84 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.54 -0.725 . . . . 1.5600000000000001 109.134 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.96 -39.96 87.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 1.4299999999999999 109.647 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.38 93.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.971 . . . . 0.66000000000000003 109.659 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.038 -1.039 . . . . 1.1799999999999999 109.553 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.213 0.53 . . . . 1.6100000000000001 110.3 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.49 146.74 31.4 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.56999999999999995 108.954 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -134.75 137.08 43.13 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.206 -0.934 . . . . 0.53000000000000003 109.637 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.24 153.63 21.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 0.38 108.822 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -145.29 134.19 22.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.306 -0.871 . . . . 0.35999999999999999 109.485 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -84.69 127.06 33.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.269 -0.895 . . . . 1.3600000000000001 108.926 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.94 119.72 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.372 -0.83 . . . . 0.48999999999999999 109.425 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -76.81 144.03 39.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 2.1000000000000001 109.917 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.58 1.18 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.459 -1.056 . . . . 0.44 110.459 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.57 -40.05 84.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 2.7200000000000002 109.52 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.02 -43.12 95.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 2.21 108.647 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.11 -40.03 92.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.462 -0.774 . . . . 2.79 109.102 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.97 -49.85 76.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.464 -0.772 . . . . 0.45000000000000001 109.447 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.61 -41.04 84.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.091 -1.006 . . . . 1.6799999999999999 108.419 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 52.3 ttp -62.28 -49.97 73.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.605 -0.685 . . . . 0.42999999999999999 109.417 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.512 -0.743 . . . . 0.28000000000000003 109.199 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.45 -44.88 92.86 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.367 -0.833 . . . . 2.52 108.862 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -48.96 79.53 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.265 -0.897 . . . . 1.75 108.724 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.32 -45.34 94.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -0.899 . . . . 0.31 108.683 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.08 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.278 -0.888 . . . . 1.21 109.096 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 1.6899999999999999 109.483 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.89 -49.33 78.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.27000000000000002 109.352 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.19 -41.91 98.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 0.29999999999999999 109.142 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -43.27 94.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.869 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.14 -46.9 88.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 0.40000000000000002 108.912 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.13 -40.01 88.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.422 -0.799 . . . . 1.5900000000000001 109.088 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.89 -39.87 86.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.346 -0.846 . . . . 1.4299999999999999 109.677 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.25 92.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.084 -1.01 . . . . 0.65000000000000002 109.654 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.106 -0.996 . . . . 1.1899999999999999 109.306 179.825 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.145 0.498 . . . . 2.1099999999999999 110.176 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -108.14 146.52 32.57 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 109.006 -0.739 . . . . 0.64000000000000001 109.006 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.35 137.15 43.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.2 -0.938 . . . . 0.48999999999999999 109.642 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -87.94 153.36 21.36 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.826 -0.805 . . . . 0.46999999999999997 108.826 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.6 tp -145.17 134.3 22.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.032 . . . . 0.41999999999999998 109.588 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -84.51 126.9 33.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 1.8100000000000001 109.072 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 119.96 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.438 -0.789 . . . . 0.41999999999999998 109.465 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -77.55 143.49 38.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 2.3500000000000001 110.172 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 124.68 1.43 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.158 -1.177 . . . . 0.40999999999999998 110.158 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -67.73 -40.07 84.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.371 -1.076 . . . . 2.5899999999999999 109.391 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.49 94.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.997 . . . . 2.54 109.025 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.74 -39.98 93.5 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.404 -0.81 . . . . 3.3900000000000001 108.985 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.84 -49.57 77.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.46999999999999997 109.39 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.9 -41.53 87.44 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.1 -1.0 . . . . 1.6599999999999999 108.367 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 51.7 ttp -61.58 -50.13 73.84 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.595 -0.691 . . . . 0.60999999999999999 109.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.3 -40.23 95.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.396 -0.815 . . . . 0.33000000000000002 108.843 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.213 -0.929 . . . . 3.2799999999999998 108.878 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -48.7 80.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.272 -0.892 . . . . 1.78 108.636 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.83 -44.78 96.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.238 -0.914 . . . . 0.38 108.762 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.28 -49.71 76.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.256 -0.903 . . . . 1.2 108.927 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.605 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.61 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.76 -49.98 75.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.309 -0.869 . . . . 0.26000000000000001 109.179 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.07 -41.63 96.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.088 -1.008 . . . . 0.40000000000000002 109.36 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.92 95.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 109.034 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.67 -46.94 88.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.75 108.808 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.14 -39.94 88.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -0.82 . . . . 2.1899999999999999 109.203 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.86 -39.99 87.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 1.3400000000000001 109.648 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.71999999999999997 109.608 -179.522 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.27 0.557 . . . . 1.6699999999999999 110.121 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -108.34 146.8 32.45 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.825 -0.806 . . . . 0.60999999999999999 108.825 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -134.45 137.65 44.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.229 -0.919 . . . . 0.56000000000000005 109.726 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -88.86 152.67 21.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 0.42999999999999999 108.731 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -144.38 134.18 23.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.192 -0.943 . . . . 0.34999999999999998 109.469 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -84.3 127.28 33.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.356 -0.84 . . . . 1.3700000000000001 108.794 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.13 119.93 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.437 -0.789 . . . . 0.47999999999999998 109.404 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -77.72 143.57 37.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.366 -0.834 . . . . 2.0800000000000001 110.047 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.86 124.64 1.28 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.11 -1.196 . . . . 0.40000000000000002 110.11 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.47 -40.1 85.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -1.085 . . . . 2.6400000000000001 109.315 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.94 -42.44 94.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 2.2200000000000002 108.86 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.67 -40.04 93.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.369 -0.832 . . . . 2.7400000000000002 109.05 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.99 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.491 -0.756 . . . . 0.42999999999999999 109.21 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.53 -41.48 85.62 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.306 -0.998 . . . . 1.6899999999999999 108.306 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 54.3 ttp -62.05 -49.6 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.521 -0.737 . . . . 0.42999999999999999 109.347 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.85 -40.1 96.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.27000000000000002 109.02 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.31 -45.1 92.23 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.269 -0.894 . . . . 2.4500000000000002 108.721 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -48.29 82.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.749 -0.834 . . . . 1.75 108.749 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.11 -45.01 95.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.31 108.869 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.19 -49.75 76.4 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.41 -0.806 . . . . 1.22 109.012 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.75 -39.91 90.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 1.73 109.455 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.61 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.75 -49.83 76.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.251 -0.906 . . . . 0.28000000000000003 109.379 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.25 -41.96 97.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.031 -1.043 . . . . 0.31 109.246 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.95 95.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 1.9099999999999999 108.786 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.06 -47.22 86.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.42999999999999999 108.923 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.27 -39.85 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.452 -0.78 . . . . 1.5700000000000001 109.101 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.05 -39.8 87.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 1.4399999999999999 109.345 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.19 95.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.64000000000000001 109.709 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 1.21 109.639 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.036 -0.727 . . . . 1.7 109.036 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.1 144.23 37.42 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.384 -0.822 . . . . 0.60999999999999999 109.635 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.47 139.57 44.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.318 -0.864 . . . . 0.57999999999999996 109.461 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.56 150.41 23.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.41999999999999998 108.797 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -145.9 131.42 18.76 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.075 -1.016 . . . . 0.35999999999999999 109.789 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.26 129.6 35.02 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.605 -0.887 . . . . 1.3700000000000001 108.605 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.26 121.2 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.41 -0.806 . . . . 0.46999999999999997 110.028 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 15' ' ' ARG . 40.7 ttt-85 -75.38 142.51 43.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.481 -0.762 . . . . 2.1000000000000001 110.423 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.49 119.68 1.37 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.176 -1.17 . . . . 0.41999999999999998 110.176 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 17' ' ' ARG . 40.1 ttt-85 -62.5 -42.89 99.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -1.134 . . . . 2.6800000000000002 109.269 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -41.55 92.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.182 -0.949 . . . . 2.2200000000000002 109.068 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.43 -0.794 . . . . 2.77 109.247 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.79 -49.81 76.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.347 -0.846 . . . . 0.42999999999999999 109.647 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.62 89.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.037 -1.039 . . . . 1.6599999999999999 108.782 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.2 ttp -62.49 -50.0 73.14 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.417 -0.802 . . . . 0.44 109.575 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.23 -39.98 94.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.28999999999999998 109.32 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.93 -42.53 94.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 2.4399999999999999 108.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.01 -47.34 86.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.883 -0.784 . . . . 1.74 108.883 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.64 -45.85 92.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.29999999999999999 109.656 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.99 -49.88 75.93 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.174 -0.954 . . . . 1.22 109.29 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.1 tt0 -60.52 -40.13 90.32 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.209 -0.932 . . . . 1.72 110.038 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.99 -50.13 74.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 0.27000000000000002 110.018 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.5 -41.31 97.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.01 . . . . 0.28999999999999998 109.109 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.067 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.87 -49.95 75.68 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.683 -0.858 . . . . 0.40999999999999998 108.683 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.96 -40.07 87.76 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 1.5600000000000001 109.699 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.21 -39.67 87.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -0.883 . . . . 1.4299999999999999 109.49 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.64 85.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 0.66000000000000003 109.607 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.141 -0.974 . . . . 1.1799999999999999 109.462 179.827 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.083 -0.71 . . . . 1.6100000000000001 109.083 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -108.16 145.03 34.76 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.553 -0.717 . . . . 0.56999999999999995 109.515 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.99 138.99 42.83 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.338 -0.851 . . . . 0.53000000000000003 109.507 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 70.2 p -88.18 150.75 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.221 -0.925 . . . . 0.38 108.805 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -145.92 131.73 19.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.209 -0.932 . . . . 0.35999999999999999 109.705 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.68 129.41 34.95 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.585 -0.894 . . . . 1.3600000000000001 108.585 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 120.49 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.489 -0.757 . . . . 0.48999999999999999 109.986 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' B' ' 15' ' ' ARG . 42.0 ttt-85 -74.92 142.59 43.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 2.1000000000000001 110.284 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 119.41 1.34 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.256 -1.138 . . . . 0.44 110.256 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -62.51 -42.68 99.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -1.155 . . . . 2.7200000000000002 109.232 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.09 -41.48 92.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.108 -0.995 . . . . 2.21 109.042 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -60.04 -40.09 88.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.307 -0.871 . . . . 2.79 109.262 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -58.48 -49.61 76.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.435 -0.791 . . . . 0.45000000000000001 109.619 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.89 -41.15 90.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.057 -1.027 . . . . 1.6799999999999999 108.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.16 -50.09 73.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.451 -0.78 . . . . 0.42999999999999999 109.585 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.81 -41.3 97.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -0.821 . . . . 0.28000000000000003 109.419 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.03 -42.31 89.87 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.108 -0.995 . . . . 2.52 108.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.303 -0.873 . . . . 1.75 108.778 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.71 -45.84 92.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.273 -0.892 . . . . 0.31 109.54 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.98 -49.2 78.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.038 -1.039 . . . . 1.21 109.47 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.05 -40.26 92.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.413 -0.804 . . . . 1.6899999999999999 109.894 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.86 -50.02 75.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.27000000000000002 109.831 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.5 -41.72 97.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.114 -0.991 . . . . 0.29999999999999999 109.276 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.17 -39.44 90.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 1.9299999999999999 109.098 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.88 -49.8 76.26 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.072 -0.714 . . . . 0.40000000000000002 109.072 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.466 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 34.8 ttmt -60.7 -40.37 91.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.323 -0.861 . . . . 1.5900000000000001 109.345 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -40.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.327 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.42 85.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.419 -0.801 . . . . 0.65000000000000002 109.551 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.17 -0.956 . . . . 1.1899999999999999 109.529 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.084 -0.71 . . . . 2.1099999999999999 109.084 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.49 144.92 37.08 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.474 -0.766 . . . . 0.64000000000000001 109.57 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.3 138.87 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.327 -0.858 . . . . 0.48999999999999999 109.531 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -88.11 150.23 23.47 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.77 -0.826 . . . . 0.46999999999999997 108.77 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.41 131.49 19.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.177 -0.952 . . . . 0.41999999999999998 109.686 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.38 129.28 34.98 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.549 -0.908 . . . . 1.8100000000000001 108.549 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.06 121.47 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.308 -0.87 . . . . 0.41999999999999998 109.843 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -75.16 143.34 43.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.555 -0.716 . . . . 2.3500000000000001 110.254 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.95 119.71 1.25 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 110.381 -1.088 . . . . 0.40999999999999998 110.381 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -62.68 -43.42 98.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -1.076 . . . . 2.5899999999999999 109.194 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.93 -41.53 91.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.123 -0.986 . . . . 2.54 109.156 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.07 -39.79 87.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.481 -0.762 . . . . 3.3900000000000001 109.39 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -58.83 -49.63 76.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.46999999999999997 109.713 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -41.34 91.49 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.147 -0.971 . . . . 1.6599999999999999 108.681 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.0 -50.04 73.62 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.229 -0.919 . . . . 0.60999999999999999 109.585 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.73 -40.57 95.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.33000000000000002 109.45 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.39 -42.66 92.24 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.407 -0.808 . . . . 3.2799999999999998 108.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.19 -47.22 86.88 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.327 -0.858 . . . . 1.78 108.842 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.77 -45.32 94.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 0.38 109.614 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -60.02 -49.98 75.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 1.2 109.514 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.33 -40.52 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.401 -0.812 . . . . 2.1200000000000001 109.946 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.92 -49.83 76.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.089 -1.007 . . . . 0.26000000000000001 109.91 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.64 -41.99 98.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.012 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.7 -39.63 89.23 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.89 . . . . 2.0899999999999999 109.142 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.41 -49.94 75.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.376 -0.827 . . . . 0.75 109.148 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' LYS . . . . . 0.526 ' HZ1' ' HB3' ' D' ' 28' ' ' GLU . 35.5 ttmt -60.28 -40.17 89.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 2.1899999999999999 109.326 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.11 -40.01 88.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 1.3400000000000001 109.544 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.194 -0.941 . . . . 0.71999999999999997 109.694 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.021 -0.733 . . . . 1.6699999999999999 109.021 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.47 144.38 37.78 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.394 -0.816 . . . . 0.60999999999999999 109.693 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.45 140.46 44.88 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.367 -0.833 . . . . 0.56000000000000005 109.506 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -89.24 151.04 22.36 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.783 -0.821 . . . . 0.42999999999999999 108.783 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.28 131.84 18.78 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.109 -0.994 . . . . 0.34999999999999998 109.559 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -83.81 129.49 34.94 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.613 -0.884 . . . . 1.3700000000000001 108.613 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.95 121.2 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.559 -0.713 . . . . 0.47999999999999998 109.799 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -75.23 142.99 43.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.588 -0.695 . . . . 2.0800000000000001 110.078 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.58 119.93 1.2 Allowed Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.573 -1.011 . . . . 0.40000000000000002 110.573 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.433 -1.039 . . . . 2.6400000000000001 109.166 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.26 -40.89 91.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.903 . . . . 2.2200000000000002 108.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 2.7400000000000002 109.32 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.59 -49.54 77.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.453 -0.78 . . . . 0.42999999999999999 109.72 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.86 -40.89 90.17 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.955 -1.091 . . . . 1.6899999999999999 108.847 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 65.6 ttp -62.45 -50.07 72.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.402 -0.811 . . . . 0.42999999999999999 109.63 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.88 -40.37 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.472 -0.767 . . . . 0.27000000000000002 109.254 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.46 -42.69 92.56 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.298 -0.876 . . . . 2.4500000000000002 108.851 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 25' ' ' GLU . . . . . 0.518 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 54.1 tp10 -60.14 -46.99 87.79 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 1.75 108.816 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -61.56 -46.22 90.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.31 109.651 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -59.88 -50.09 75.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 1.22 109.428 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 28' ' ' GLU . . . . . 0.526 ' HB3' ' HZ1' ' C' ' 33' ' ' LYS . 87.1 tt0 -60.08 -40.28 89.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.26 -0.9 . . . . 1.73 109.798 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.01 -50.44 73.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.101 -0.999 . . . . 0.28000000000000003 109.903 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.73 -42.69 97.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.161 -0.962 . . . . 0.31 109.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.25 -39.87 88.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.085 -1.01 . . . . 1.9099999999999999 109.174 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.858 . . . . 0.42999999999999999 108.873 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.08 -40.25 88.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.2 -0.938 . . . . 1.5700000000000001 109.396 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.94 -40.09 87.76 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.133 -0.979 . . . . 1.4399999999999999 109.477 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.99 84.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.64000000000000001 109.676 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 1.21 109.455 -179.829 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.24 0.543 . . . . 1.7 109.538 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -100.69 140.99 34.18 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.568 -0.707 . . . . 0.60999999999999999 109.564 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -130.17 140.28 50.78 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.449 -0.782 . . . . 0.57999999999999996 109.794 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -90.5 157.83 17.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.153 -0.967 . . . . 0.41999999999999998 108.469 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.3 129.32 13.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 0.35999999999999999 109.532 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -84.52 128.68 34.72 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.318 -0.993 . . . . 1.3700000000000001 108.318 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.29 120.04 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.505 0.669 . . . . 0.46999999999999997 109.247 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 15' ' ' ARG . 38.4 ttt-85 -78.54 146.47 34.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.476 -0.765 . . . . 2.1000000000000001 110.374 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 121.07 0.54 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.597 -1.001 . . . . 0.41999999999999998 110.597 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.15 -39.99 94.48 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.332 -1.099 . . . . 2.6800000000000002 109.157 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.81 -43.68 94.36 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.634 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 42.2 ttm180 -60.24 -40.6 90.81 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.116 -0.99 . . . . 2.77 108.595 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -59.99 -44.95 94.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.42999999999999999 109.147 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -41.97 93.3 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 108.837 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -63.1 -52.43 62.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.529 -0.915 . . . . 0.44 108.529 179.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.42 -39.97 89.34 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.643 -0.873 . . . . 0.28999999999999998 108.643 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HG2' HH11 ' A' ' 24' ' ' ARG . 3.9 ttt-85 -58.27 -49.5 76.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.003 -0.74 . . . . 2.4399999999999999 109.003 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.282 -0.886 . . . . 1.74 109.475 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.23 -40.99 97.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.298 -0.876 . . . . 0.29999999999999999 109.908 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.33 -50.18 74.64 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.949 -1.094 . . . . 1.22 109.394 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.94 -39.78 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.371 -0.83 . . . . 1.72 109.656 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.12 -49.83 76.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.882 . . . . 0.27000000000000002 109.429 -179.32 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.13 -43.99 97.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 0.28999999999999998 109.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.12 93.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.307 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -49.45 77.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.815 . . . . 0.40999999999999998 109.317 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -60.44 -48.93 79.6 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.205 -0.934 . . . . 1.5600000000000001 109.545 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.408 -0.807 . . . . 1.4299999999999999 110.191 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.66000000000000003 109.793 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.8 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.437 -0.789 . . . . 1.1799999999999999 109.974 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.449 -0.574 . . . . 1.6100000000000001 109.449 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -100.64 140.91 34.24 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.212 -0.93 . . . . 0.56999999999999995 109.627 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -130.68 139.37 50.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.415 -0.803 . . . . 0.53000000000000003 109.716 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.82 155.35 19.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.294 -0.879 . . . . 0.38 108.71 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.23 129.63 15.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.964 -1.085 . . . . 0.35999999999999999 109.596 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.99 128.36 34.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.348 -0.982 . . . . 1.3600000000000001 108.348 179.214 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 119.55 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.428 -0.795 . . . . 0.48999999999999999 109.095 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -77.62 146.47 36.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.458 -0.776 . . . . 2.1000000000000001 110.131 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.97 120.15 0.46 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.813 -0.915 . . . . 0.44 110.813 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -61.09 -39.88 91.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.44 -1.035 . . . . 2.7200000000000002 109.059 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.95 -43.68 94.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 2.21 108.749 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.544 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.4 ttm180 -60.4 -40.75 92.06 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.59 -0.893 . . . . 2.79 108.59 179.102 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.04 -45.18 93.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.335 -0.853 . . . . 0.45000000000000001 109.251 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -41.32 91.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.679 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 ttm -63.6 -52.1 62.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 108.526 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.07 -40.09 92.34 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.405 -0.961 . . . . 0.28000000000000003 108.405 179.272 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.496 ' HG2' HH11 ' B' ' 24' ' ' ARG . 3.2 ttt-85 -57.77 -49.89 75.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.537 -0.727 . . . . 2.52 109.117 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.13 -46.92 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 1.75 109.751 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.53 -41.67 98.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.31 109.729 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -60.12 -50.52 73.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 1.21 109.469 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 24' ' ' ARG . 0.3 OUTLIER -62.6 -39.7 94.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 1.6899999999999999 109.437 179.319 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.35 -50.15 75.07 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.176 -0.952 . . . . 0.27000000000000002 109.476 -179.29 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.15 -44.65 97.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.991 -1.068 . . . . 0.29999999999999999 109.203 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.33 -39.89 92.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 1.9299999999999999 109.372 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.27 -49.58 77.03 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.423 -0.798 . . . . 0.40000000000000002 109.153 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -60.21 -48.85 79.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.211 -0.931 . . . . 1.5900000000000001 109.438 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.9 m-20 -59.75 -40.2 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 110.205 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.028 -1.045 . . . . 0.65000000000000002 109.984 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.8 mt-30 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.226 -0.921 . . . . 1.1899999999999999 110.057 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.428 -0.582 . . . . 2.1099999999999999 109.428 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.74 140.65 34.72 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.864 . . . . 0.64000000000000001 109.83 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.01 138.23 49.56 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.436 -0.79 . . . . 0.48999999999999999 110.045 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.9 p -88.13 157.56 18.8 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.83 -0.804 . . . . 0.46999999999999997 108.83 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.46 129.15 13.21 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.07 -1.019 . . . . 0.41999999999999998 109.664 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.73 129.15 34.95 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.399 -0.963 . . . . 1.8100000000000001 108.399 178.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.23 119.92 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.459 -0.776 . . . . 0.41999999999999998 109.227 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -78.78 146.39 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.495 -0.753 . . . . 2.3500000000000001 110.231 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.0 120.65 0.48 Allowed Glycine 0 N--CA 1.491 2.345 0 C-N-CA 120.267 -0.968 . . . . 0.40999999999999998 110.787 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -61.28 -39.98 92.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.528 -0.984 . . . . 2.5899999999999999 109.218 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.11 -43.04 95.89 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.642 -0.873 . . . . 2.54 108.642 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -61.14 -40.7 94.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.29 -1.004 . . . . 3.3900000000000001 108.29 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.75 -45.76 91.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.46999999999999997 109.282 179.334 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.86 -41.97 92.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 1.6599999999999999 108.754 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -62.62 -52.4 63.5 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.422 -0.955 . . . . 0.60999999999999999 108.422 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -60.55 -40.0 89.96 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.82 -0.807 . . . . 0.33000000000000002 108.82 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 24' ' ' ARG . . . . . 0.526 HH11 ' HG2' ' C' ' 24' ' ' ARG . 3.9 ttt-85 -58.6 -48.89 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.497 -0.752 . . . . 3.2799999999999998 109.034 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.19 -48.14 82.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 1.78 109.322 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.65 -41.29 98.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.38 109.98 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -60.06 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 1.2 109.587 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' C' ' 24' ' ' ARG . 0.4 OUTLIER -63.26 -39.2 93.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 2.1200000000000001 109.545 179.613 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.635 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.74 -50.45 73.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.323 -0.86 . . . . 0.26000000000000001 109.459 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.76 -45.73 93.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.982 -1.074 . . . . 0.40000000000000002 108.977 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.65 90.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 2.0899999999999999 109.739 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -49.44 77.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 0.75 109.248 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.13 -48.82 80.13 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.202 -0.936 . . . . 2.1899999999999999 109.359 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.3 m-20 -59.86 -40.13 87.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.525 -0.734 . . . . 1.3400000000000001 110.428 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.239 -0.913 . . . . 0.71999999999999997 110.004 -179.44 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.289 0.566 . . . . 1.6699999999999999 109.579 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.79 141.37 33.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.517 -0.739 . . . . 0.60999999999999999 109.319 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.48 138.84 49.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.532 -0.73 . . . . 0.56000000000000005 109.737 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.05 157.48 18.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.193 -0.942 . . . . 0.42999999999999999 108.581 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -148.97 130.06 14.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.899 -1.126 . . . . 0.34999999999999998 109.301 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -85.57 128.31 34.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.13 -0.981 . . . . 1.3700000000000001 108.421 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.12 119.08 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.47999999999999998 109.329 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -76.99 146.69 37.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.633 -0.667 . . . . 2.0800000000000001 110.204 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.01 120.45 0.47 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.82 -0.912 . . . . 0.40000000000000002 110.82 178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -61.81 -39.89 93.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.495 -1.003 . . . . 2.6400000000000001 108.677 178.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -42.67 95.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.872 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.4 ttm180 -61.48 -40.43 94.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.026 -1.046 . . . . 2.7400000000000002 108.593 179.088 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.98 -45.4 92.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.409 -0.807 . . . . 0.42999999999999999 109.25 179.326 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -42.23 93.65 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.141 -0.975 . . . . 1.6899999999999999 108.621 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttm -62.12 -52.93 61.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.221 -0.924 . . . . 0.42999999999999999 108.529 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.53 -39.95 89.71 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.487 -0.931 . . . . 0.27000000000000002 108.487 179.23 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 24' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' D' ' 24' ' ' ARG . 3.6 ttt-85 -58.33 -49.57 76.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.401 -0.812 . . . . 2.4500000000000002 109.076 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -47.72 84.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.322 -0.861 . . . . 1.75 109.548 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.31 109.983 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -60.29 -49.84 76.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.035 -1.04 . . . . 1.22 109.572 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -39.79 95.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.462 -0.774 . . . . 1.73 109.285 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.635 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.24 -50.53 73.66 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.308 -0.87 . . . . 0.28000000000000003 109.339 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.76 -45.22 95.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.122 -0.986 . . . . 0.31 108.999 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.56 -40.08 90.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.9099999999999999 110.005 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.2 -49.27 78.31 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.274 -0.891 . . . . 0.42999999999999999 109.379 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -60.4 -48.76 80.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 1.5700000000000001 109.475 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 34' ' ' ASP . . . . . 0.544 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.516 -0.74 . . . . 1.4399999999999999 110.04 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.81 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.22 -0.925 . . . . 0.64000000000000001 110.108 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.21 109.896 -179.553 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.365 0.602 . . . . 1.7 109.979 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.02 148.23 22.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.60999999999999999 109.047 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -135.08 136.43 42.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.289 -0.882 . . . . 0.57999999999999996 109.605 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.88 151.92 22.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.336 -0.853 . . . . 0.41999999999999998 109.035 179.522 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -146.84 131.15 17.52 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -0.956 . . . . 0.35999999999999999 109.676 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.66 129.99 34.97 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.4 -0.963 . . . . 1.3700000000000001 108.4 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 121.01 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.286 -0.884 . . . . 0.46999999999999997 109.976 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.57 141.91 44.72 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.306 0.574 . . . . 2.1000000000000001 110.339 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.37 126.28 0.95 Allowed Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.525 -1.03 . . . . 0.41999999999999998 110.525 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -66.57 -39.96 88.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.411 -1.052 . . . . 2.6800000000000002 109.32 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.06 -43.63 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.168 -0.957 . . . . 2.2200000000000002 109.331 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.401 HH12 ' CG ' ' C' ' 31' ' ' GLU . 41.7 ttm180 -60.12 -40.05 88.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 2.77 109.025 179.483 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.9 -48.92 79.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.42999999999999999 109.469 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.31 -43.54 92.64 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.004 -1.06 . . . . 1.6599999999999999 108.724 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 63.6 ttp -61.2 -49.71 76.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.307 -0.871 . . . . 0.44 109.178 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.86 -40.48 93.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.28999999999999998 109.189 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.36 -45.21 92.05 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.172 -0.955 . . . . 2.4399999999999999 108.562 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 1.74 108.899 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.01 -42.8 99.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.29999999999999999 109.431 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.943 . . . . 1.22 109.696 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.71 -40.17 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.72 109.521 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.65 -50.04 75.43 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.844 . . . . 0.27000000000000002 109.607 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.78 -44.44 96.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.082 -1.012 . . . . 0.28999999999999998 109.229 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HG2' HH12 ' C' ' 19' ' ' ARG . 98.9 mt-10 -60.56 -40.52 91.92 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.197 -0.94 . . . . 1.9099999999999999 109.239 179.247 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.37 -45.07 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.361 -0.837 . . . . 0.40999999999999998 108.865 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.5 -41.11 93.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 1.5600000000000001 109.619 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 88.3 m-20 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.4299999999999999 109.943 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.07 -26.72 67.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.66000000000000003 109.591 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 1.1799999999999999 109.735 -179.748 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.343 0.592 . . . . 1.6100000000000001 109.828 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.22 148.91 21.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.56999999999999995 109.051 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.45 136.95 41.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.856 . . . . 0.53000000000000003 109.617 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.22 151.79 21.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.235 -0.916 . . . . 0.38 108.911 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -146.31 131.24 18.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.059 -1.025 . . . . 0.35999999999999999 109.538 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.83 130.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.457 -0.942 . . . . 1.3600000000000001 108.457 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -120.04 121.55 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.357 -0.839 . . . . 0.48999999999999999 110.098 -179.068 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -74.62 142.52 44.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.688 -0.632 . . . . 2.1000000000000001 110.309 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.37 128.33 0.93 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.719 -0.952 . . . . 0.44 110.719 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -68.1 -40.02 82.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.533 -0.981 . . . . 2.7200000000000002 109.361 179.34 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.02 -43.28 95.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 2.21 109.149 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.49 -39.94 89.53 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.447 -0.783 . . . . 2.79 108.933 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.98 -49.38 77.91 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.522 -0.737 . . . . 0.45000000000000001 109.59 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.15 -43.8 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.702 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.79 -49.31 78.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.444 -0.785 . . . . 0.42999999999999999 109.221 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.66 -40.35 94.61 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.369 -0.832 . . . . 0.28000000000000003 109.029 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.116 -0.99 . . . . 2.52 108.676 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.61 85.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.357 -0.839 . . . . 1.75 109.004 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.85 -42.72 99.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.31 109.444 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -59.89 -50.04 75.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 1.21 109.681 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.2 -40.06 96.42 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.904 . . . . 1.6899999999999999 109.447 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.64 -50.02 75.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.35 -0.844 . . . . 0.27000000000000002 109.524 -179.434 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.7 -44.59 96.64 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.077 -1.015 . . . . 0.29999999999999999 109.247 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.436 ' CG ' HH12 ' D' ' 19' ' ' ARG . 98.2 mt-10 -60.44 -40.94 92.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.206 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.95 -45.44 94.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 0.40000000000000002 108.754 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.32 -40.75 91.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 1.5900000000000001 109.595 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 93.9 m-20 -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -0.856 . . . . 1.4299999999999999 109.957 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.97 67.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 0.65000000000000002 109.524 -179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 1.1899999999999999 109.664 -179.803 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.366 0.603 . . . . 2.1099999999999999 110.003 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.89 148.9 21.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 0.64000000000000001 109.0 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.71 136.82 41.17 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.346 -0.846 . . . . 0.48999999999999999 109.625 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.21 152.25 21.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.46999999999999997 109.015 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.05 131.14 17.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.41999999999999998 109.532 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -83.49 130.21 35.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.188 -1.042 . . . . 1.8100000000000001 108.188 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.87 121.09 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.33 -0.857 . . . . 0.41999999999999998 110.033 -179.265 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -74.47 142.13 44.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.699 -0.626 . . . . 2.3500000000000001 110.407 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 126.34 0.87 Allowed Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.40999999999999998 110.648 178.629 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -66.52 -40.11 89.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -1.065 . . . . 2.5899999999999999 109.216 179.482 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.01 -43.39 95.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.134 -0.979 . . . . 2.54 109.111 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -60.29 -40.0 88.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.214 -0.928 . . . . 3.3900000000000001 108.974 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.12 -48.58 81.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.474 -0.766 . . . . 0.46999999999999997 109.505 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.1 -42.33 94.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.737 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.9 ttp -62.23 -48.91 77.86 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.394 -0.816 . . . . 0.60999999999999999 109.176 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.92 -40.54 95.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.475 -0.766 . . . . 0.33000000000000002 109.146 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.24 -44.96 92.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.223 -0.923 . . . . 3.2799999999999998 108.791 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.12 -47.69 84.85 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.239 -0.913 . . . . 1.78 108.871 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.82 -42.18 99.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.292 -0.88 . . . . 0.38 109.474 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.97 -49.92 75.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 1.2 109.665 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.46 -39.89 95.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.845 . . . . 2.1200000000000001 109.617 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.57 -50.02 75.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.26000000000000001 109.487 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.48 -44.62 96.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.40000000000000002 109.34 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.401 ' CG ' HH12 ' A' ' 19' ' ' ARG . 98.7 mt-10 -60.78 -41.01 94.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.893 . . . . 2.0899999999999999 109.159 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.99 -45.34 95.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.75 108.794 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.06 -40.82 90.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 2.1899999999999999 109.676 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -0.918 . . . . 1.3400000000000001 110.164 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.919 . . . . 0.71999999999999997 109.591 -179.657 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.449 0.642 . . . . 1.6699999999999999 109.994 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -93.51 148.41 22.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.60999999999999999 109.189 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.27 136.21 41.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.355 -0.84 . . . . 0.56000000000000005 109.685 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -89.01 152.16 21.85 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.298 -0.877 . . . . 0.42999999999999999 108.891 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 tp -146.91 130.95 17.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 0.34999999999999998 109.57 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -83.35 130.12 35.03 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.398 -0.964 . . . . 1.3700000000000001 108.398 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.07 121.35 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.47999999999999998 109.909 -179.105 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.64 142.25 44.56 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.343 0.592 . . . . 2.0800000000000001 110.302 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.83 127.74 0.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.616 -0.993 . . . . 0.40000000000000002 110.616 178.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.85 -39.96 83.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -1.033 . . . . 2.6400000000000001 109.233 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.05 -43.68 95.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.112 -0.993 . . . . 2.2200000000000002 109.031 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.436 HH12 ' CG ' ' B' ' 31' ' ' GLU . 42.0 ttm180 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.276 -0.89 . . . . 2.7400000000000002 108.93 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.75 -48.68 80.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.403 -0.811 . . . . 0.42999999999999999 109.678 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.88 -43.28 94.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.051 . . . . 1.6899999999999999 108.839 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -61.21 -49.78 75.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.405 -0.809 . . . . 0.42999999999999999 109.039 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.96 -40.4 93.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.335 -0.853 . . . . 0.27000000000000002 109.163 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.5 -44.8 93.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.474 -0.935 . . . . 2.4500000000000002 108.474 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.14 -47.27 86.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.914 . . . . 1.75 108.88 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.47 -42.79 98.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.37 -0.831 . . . . 0.31 109.478 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -60.01 -50.09 75.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.253 -0.905 . . . . 1.22 109.571 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.05 -40.1 96.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.23 -0.919 . . . . 1.73 109.523 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.4 -49.92 75.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.377 -0.827 . . . . 0.28000000000000003 109.698 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.88 -44.04 97.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 0.31 109.295 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -41.1 94.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.017 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.78 -45.35 94.7 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.271 -0.893 . . . . 0.42999999999999999 108.992 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.14 -41.3 92.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.442 -0.786 . . . . 1.5700000000000001 109.575 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 1.4399999999999999 109.994 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.19 67.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.64000000000000001 109.528 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 1.21 109.716 -179.928 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.516 0.674 . . . . 1.7 110.063 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -98.25 146.65 25.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.5 -0.75 . . . . 0.60999999999999999 109.759 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -135.75 140.27 44.22 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.395 -0.816 . . . . 0.57999999999999996 109.884 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 p -89.72 151.37 21.88 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.293 -0.879 . . . . 0.41999999999999998 109.19 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.66 131.8 20.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.029 -1.045 . . . . 0.35999999999999999 109.572 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -83.17 128.36 34.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 109.039 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.56 120.51 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.458 -0.776 . . . . 0.46999999999999997 109.71 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.47 143.51 44.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.438 -0.789 . . . . 2.1000000000000001 110.512 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.1 124.04 0.9 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.821 -0.912 . . . . 0.41999999999999998 110.821 178.505 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NH1' ' CD2' ' A' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -40.86 96.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -1.102 . . . . 2.6800000000000002 109.605 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -43.1 95.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 2.2200000000000002 109.109 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.67 -40.01 90.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.429 -0.795 . . . . 2.77 109.144 179.386 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CD2' ' NH1' ' A' ' 17' ' ' ARG . 49.3 t80 -59.61 -49.09 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.298 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.49 -40.03 85.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.168 -0.957 . . . . 1.6599999999999999 108.734 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -63.49 -50.04 71.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.54 -0.725 . . . . 0.44 109.509 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.55 -40.01 95.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.28999999999999998 109.243 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -59.25 -43.38 92.42 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.334 -0.854 . . . . 2.4399999999999999 108.84 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.18 -46.58 89.21 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.273 -0.892 . . . . 1.74 108.808 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.85 -43.31 99.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.401 -0.812 . . . . 0.29999999999999999 109.345 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.96 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.22 108.955 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -40.11 94.44 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.487 -0.758 . . . . 1.72 109.499 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.31 -49.58 77.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.221 -0.924 . . . . 0.27000000000000002 109.582 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -44.04 97.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.004 -1.06 . . . . 0.28999999999999998 109.192 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -0.896 . . . . 1.9099999999999999 109.62 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.04 -48.67 80.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.267 -0.896 . . . . 0.40999999999999998 109.097 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.379 -0.826 . . . . 1.5600000000000001 109.439 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 1.4299999999999999 109.953 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.04 93.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.059 -1.025 . . . . 0.66000000000000003 109.358 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 1.1799999999999999 109.821 -179.7 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.418 0.628 . . . . 1.6100000000000001 109.751 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -98.14 147.09 24.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.477 -0.764 . . . . 0.56999999999999995 109.53 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -135.82 141.27 44.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.342 -0.849 . . . . 0.53000000000000003 109.736 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -90.85 152.13 20.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.38 109.022 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -145.21 132.53 20.61 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.35999999999999999 109.327 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -83.95 127.92 34.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.337 -0.852 . . . . 1.3600000000000001 109.08 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.02 120.55 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.526 -0.734 . . . . 0.48999999999999999 109.735 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.33 144.15 44.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -0.786 . . . . 2.1000000000000001 110.409 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 123.95 0.84 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 120.437 -0.887 . . . . 0.44 110.924 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.605 ' NH1' ' CD2' ' B' ' 20' ' ' PHE . 27.0 tpt180 -64.99 -40.4 94.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -1.046 . . . . 2.7200000000000002 109.352 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.54 -43.33 97.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.148 -0.97 . . . . 2.21 108.947 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.41 -39.98 89.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.409 -0.807 . . . . 2.79 109.009 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.605 ' CD2' ' NH1' ' B' ' 17' ' ' ARG . 49.9 t80 -59.22 -49.14 79.0 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -0.804 . . . . 0.45000000000000001 109.32 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.89 -40.21 87.96 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 1.6799999999999999 108.81 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 62.6 ttp -62.91 -50.13 72.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.356 -0.84 . . . . 0.42999999999999999 109.454 179.498 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.78 -40.34 96.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.28000000000000003 109.229 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -59.02 -43.69 91.6 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 2.52 108.743 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -46.37 89.75 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.316 -0.865 . . . . 1.75 108.992 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -43.06 99.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.31 109.26 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.265 -0.897 . . . . 1.21 109.161 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -39.94 93.4 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.593 -0.692 . . . . 1.6899999999999999 109.376 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.44 -50.21 74.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.303 -0.873 . . . . 0.27000000000000002 109.686 -179.309 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.05 -43.87 98.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.09 -1.006 . . . . 0.29999999999999999 109.207 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.46 -40.09 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.268 -0.895 . . . . 1.9299999999999999 109.629 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.08 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.40000000000000002 108.938 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 1.5900000000000001 109.451 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.2 m-20 -59.9 -40.05 87.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 1.4299999999999999 109.677 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.06 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.056 -1.028 . . . . 0.65000000000000002 109.641 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 1.1899999999999999 109.784 -179.886 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.456 0.646 . . . . 2.1099999999999999 109.911 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.27 146.77 25.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.488 -0.758 . . . . 0.64000000000000001 109.695 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.86 140.5 44.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.321 -0.862 . . . . 0.48999999999999999 109.952 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 46.3 p -89.61 151.58 21.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.384 -0.822 . . . . 0.46999999999999997 109.078 179.332 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.87 131.79 20.24 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.41999999999999998 109.193 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -83.16 128.47 34.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.827 . . . . 1.8100000000000001 109.048 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.63 121.4 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.518 -0.739 . . . . 0.41999999999999998 109.82 -179.296 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -75.2 143.08 43.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.44 -0.787 . . . . 2.3500000000000001 110.652 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 124.89 0.98 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.752 -0.939 . . . . 0.40999999999999998 110.752 178.659 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 17' ' ' ARG . . . . . 0.578 ' NH1' ' CD2' ' C' ' 20' ' ' PHE . 27.0 tpt180 -65.18 -40.65 94.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.306 -1.114 . . . . 2.5899999999999999 109.385 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -43.52 95.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 2.54 109.109 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.44 -39.98 89.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.313 -0.867 . . . . 3.3900000000000001 109.144 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.578 ' CD2' ' NH1' ' C' ' 17' ' ' ARG . 48.1 t80 -59.37 -48.91 79.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.46999999999999997 109.372 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.91 -40.32 88.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.11 -0.994 . . . . 1.6599999999999999 108.77 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 62.6 ttp -63.03 -50.1 72.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.446 -0.784 . . . . 0.60999999999999999 109.447 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.32 -40.55 96.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.458 -0.776 . . . . 0.33000000000000002 109.28 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -58.95 -43.4 91.27 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 3.2799999999999998 108.999 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.06 -46.56 89.16 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.402 -0.811 . . . . 1.78 108.855 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.38 109.404 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.96 -49.93 75.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.286 -0.884 . . . . 1.2 109.054 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.13 -39.93 94.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 2.1200000000000001 109.442 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.22 -50.05 75.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 0.26000000000000001 109.649 -179.406 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.61 -43.67 98.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.086 -1.009 . . . . 0.40000000000000002 109.054 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.288 -0.883 . . . . 2.0899999999999999 109.746 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.08 -48.97 79.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 0.75 109.067 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -59.95 -40.1 87.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.552 -0.717 . . . . 2.1899999999999999 109.319 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.61 -40.0 86.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 1.3400000000000001 109.898 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.71999999999999997 109.619 -179.738 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.493 0.663 . . . . 1.6699999999999999 109.936 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -98.05 146.96 25.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.557 -0.715 . . . . 0.60999999999999999 109.723 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -135.85 141.29 44.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.397 -0.814 . . . . 0.56000000000000005 109.705 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 46.0 p -91.05 151.85 20.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.368 -0.832 . . . . 0.42999999999999999 108.989 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -144.65 132.5 21.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.235 -0.916 . . . . 0.34999999999999998 109.301 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -83.78 128.0 34.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.169 -0.957 . . . . 1.3700000000000001 108.87 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.12 121.02 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.548 -0.72 . . . . 0.47999999999999998 109.613 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.53 143.53 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.808 . . . . 2.0800000000000001 110.381 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.17 123.78 0.89 Allowed Glycine 0 N--CA 1.494 2.522 0 O-C-N 121.232 -0.918 . . . . 0.40000000000000002 110.852 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 17' ' ' ARG . . . . . 0.569 ' NH1' ' CD2' ' D' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -41.01 96.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.461 -1.023 . . . . 2.6400000000000001 109.367 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -43.2 95.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.125 -0.984 . . . . 2.2200000000000002 109.245 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 19' ' ' ARG . . . . . 0.461 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.0 ttm180 -60.73 -40.03 90.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.36 -0.837 . . . . 2.7400000000000002 109.017 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' NH1' ' D' ' 17' ' ' ARG . 45.9 t80 -59.39 -48.96 79.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.344 -0.847 . . . . 0.42999999999999999 109.235 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.92 -40.28 88.32 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.001 -1.062 . . . . 1.6899999999999999 108.592 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 61.6 ttp -62.81 -50.0 72.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.377 -0.827 . . . . 0.42999999999999999 109.474 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.79 -40.38 97.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.444 -0.785 . . . . 0.27000000000000002 109.305 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -59.23 -43.46 92.36 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 2.4500000000000002 108.86 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -46.16 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 1.75 108.997 179.168 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.43 -43.32 97.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.88 . . . . 0.31 109.342 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.97 -50.01 75.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.301 -0.874 . . . . 1.22 109.002 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.9 94.09 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.37 -0.831 . . . . 1.73 109.452 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.08 -49.99 75.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.311 -0.868 . . . . 0.28000000000000003 109.582 -179.45 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.49 -43.79 98.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.054 -1.029 . . . . 0.31 109.15 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.52 -40.06 90.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.637 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.96 -48.91 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.906 . . . . 0.42999999999999999 109.052 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -59.96 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.397 -0.814 . . . . 1.5700000000000001 109.465 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.87 -40.04 87.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.4399999999999999 109.936 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.01 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.64000000000000001 109.329 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 1.21 109.827 -179.643 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.695 ' O ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 108.353 -0.981 . . . . 8.4900000000000002 108.353 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' HZ2' ' N ' ' A' ' 1' ' ' LYS . 1.3 mptp? 58.21 -39.39 0.05 Allowed 'General case' 0 N--CA 1.506 2.368 0 CA-C-O 121.219 0.533 . . . . 8.1600000000000001 110.282 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.695 ' N ' ' O ' ' A' ' 1' ' ' LYS . 7.1 mtmp? 54.83 151.5 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 113.635 0.976 . . . . 8.5399999999999991 113.635 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -78.02 -170.62 1.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 102.269 -3.781 . . . . 4.6500000000000004 102.269 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 mt -88.75 116.72 27.22 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 106.355 -1.72 . . . . 5.3600000000000003 106.355 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.74 161.62 29.41 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.765 -1.198 . . . . 3.4199999999999999 107.765 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.86 139.1 46.23 Favored Glycine 0 N--CA 1.482 1.715 0 N-CA-C 108.032 -2.027 . . . . 1.0600000000000001 108.032 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.81 131.97 36.05 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.483 -1.01 . . . . 1.76 108.32 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -89.47 144.18 26.24 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.494 -0.754 . . . . 0.52000000000000002 109.831 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.3 143.13 49.67 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.742 -0.836 . . . . 0.47999999999999998 108.742 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.54 153.49 17.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.905 -1.146 . . . . 0.23000000000000001 107.905 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -145.62 130.47 18.16 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.218 -0.926 . . . . 0.26000000000000001 109.268 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.22 127.4 33.14 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.357 -0.979 . . . . 0.90000000000000002 108.357 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.97 119.99 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.623 -0.88 . . . . 0.26000000000000001 108.623 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.36 148.41 35.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.687 -0.633 . . . . 2.27 109.35 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 115.57 0.34 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.5 -1.04 . . . . 0.35999999999999999 110.5 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.3 -39.91 88.65 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.456 -1.026 . . . . 2.6299999999999999 109.116 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.31 -46.47 86.08 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.575 -0.898 . . . . 2.1699999999999999 108.575 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.1 -39.82 87.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.646 -0.659 . . . . 2.0099999999999998 109.251 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.17 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.212 -0.93 . . . . 0.28000000000000003 109.792 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.35 -41.02 88.23 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.053 -1.029 . . . . 1.1699999999999999 108.317 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.51 -50.09 70.98 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.534 -0.729 . . . . 0.62 109.741 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.82 -39.96 93.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.425 -0.797 . . . . 0.79000000000000004 109.267 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.06 -43.7 91.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.99 -1.069 . . . . 2.2799999999999998 109.584 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.84 88.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.174 -0.954 . . . . 1.4399999999999999 109.092 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.22 -40.23 95.44 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.29999999999999999 108.357 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -61.58 -56.43 19.97 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.59 0.709 . . . . 0.84999999999999998 109.885 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.5 -39.98 89.7 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.551 -0.718 . . . . 2.1600000000000001 109.388 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.14 81.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.374 -0.829 . . . . 0.20000000000000001 109.371 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 84.7 mt -64.25 -41.99 96.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.28000000000000003 109.572 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.18 -39.78 87.67 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 1.5800000000000001 109.622 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.78 -47.98 83.85 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.259 -0.9 . . . . 0.69999999999999996 109.107 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.57 -40.57 92.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.267 -0.896 . . . . 1.3400000000000001 108.766 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.83 86.5 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.232 0.539 . . . . 1.24 109.65 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.56 95.87 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.528 -0.915 . . . . 0.59999999999999998 108.528 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -77.4 -30.03 53.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 2.29 108.851 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -65.55 -29.79 70.46 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.175 -1.417 . . . . 1.02 107.175 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.04 6.02 4.3 Favored Glycine 0 N--CA 1.482 1.765 0 N-CA-C 108.438 -1.865 . . . . 1.76 108.438 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 37' ' ' ALA . 19.8 tttm -78.91 136.77 37.37 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.246 -1.15 . . . . 3.73 108.682 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.5 150.76 43.12 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.694 -0.629 . . . . 5.7400000000000002 109.93 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.61 158.99 14.7 Favored 'Trans proline' 0 C--N 1.322 -0.865 0 N-CA-C 107.637 -1.717 . . . . 5.0899999999999999 107.637 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.28 -1.528 . . . . 7.21 109.28 -179.505 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.7 ' O ' ' N ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 108.369 -0.974 . . . . 8.4700000000000006 108.369 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.568 ' HZ3' ' H2 ' ' B' ' 1' ' ' LYS . 1.3 mptp? 58.27 -39.45 0.06 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.776 -0.578 . . . . 8.1199999999999992 110.268 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.7 ' N ' ' O ' ' B' ' 1' ' ' LYS . 7.1 mtmp? 54.85 151.54 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 N-CA-C 113.666 0.987 . . . . 8.5700000000000003 113.666 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -78.1 -170.67 1.01 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 N-CA-C 102.256 -3.786 . . . . 4.6299999999999999 102.256 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 63.0 mt -88.76 116.6 27.14 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 106.413 -1.699 . . . . 5.3499999999999996 106.413 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -69.89 160.01 32.62 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.917 -1.142 . . . . 3.48 107.917 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.05 138.75 38.39 Favored Glycine 0 N--CA 1.483 1.815 0 N-CA-C 108.358 -1.897 . . . . 1.1000000000000001 108.358 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.16 132.14 37.98 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.411 -1.052 . . . . 1.75 108.24 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.52 144.17 26.24 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.505 -0.747 . . . . 0.55000000000000004 109.898 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.25 143.09 49.67 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.748 -0.834 . . . . 0.5 108.748 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.5 153.44 17.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.951 -1.129 . . . . 0.23000000000000001 107.951 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.6 tp -145.6 130.56 18.26 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.177 -0.952 . . . . 0.26000000000000001 109.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.28 127.48 33.25 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.29 -1.004 . . . . 0.91000000000000003 108.29 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.4 mt -120.09 120.01 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.646 -0.872 . . . . 0.25 108.646 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.39 148.39 35.55 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.43 -0.582 . . . . 2.2599999999999998 109.43 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.94 115.57 0.34 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.45 -1.06 . . . . 0.34000000000000002 110.45 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.16 -40.06 88.57 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.52 -0.988 . . . . 2.6299999999999999 109.118 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.23 -46.49 85.83 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.576 -0.898 . . . . 2.1400000000000001 108.576 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.09 -39.82 87.48 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.59 -0.693 . . . . 1.99 109.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.18 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.27000000000000002 109.806 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.18 -41.07 87.61 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.029 -1.044 . . . . 1.1799999999999999 108.411 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.59 -49.98 71.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.561 -0.712 . . . . 0.62 109.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.89 93.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.404 -0.81 . . . . 0.78000000000000003 109.311 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.11 -43.67 91.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.053 -1.03 . . . . 2.2999999999999998 109.597 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.05 -46.87 88.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 1.4399999999999999 109.104 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.25 -40.2 95.4 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.295 -1.002 . . . . 0.28000000000000003 108.295 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -61.68 -56.34 20.74 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.572 0.701 . . . . 0.83999999999999997 109.91 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.87 89.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.602 -0.686 . . . . 2.1600000000000001 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.12 81.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.354 -0.841 . . . . 0.20000000000000001 109.352 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' B' ' 34' ' ' ASP . 84.7 mt -64.22 -42.03 96.77 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 0.28999999999999998 109.475 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -60.13 -40.19 88.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.204 -0.935 . . . . 1.5700000000000001 109.38 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.53 -47.98 83.76 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.247 -0.908 . . . . 0.72999999999999998 109.182 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.66 -40.38 91.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.31 -0.869 . . . . 1.3600000000000001 108.741 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 30' ' ' LEU . 1.1 m-20 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.804 -0.56 . . . . 1.25 109.56 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.55 95.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.255 -0.903 . . . . 0.60999999999999999 108.711 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -77.54 -29.92 52.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.2799999999999998 108.825 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -65.59 -29.78 70.42 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.159 -1.423 . . . . 1.0600000000000001 107.159 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.11 6.06 4.35 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 108.404 -1.879 . . . . 1.77 108.404 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' B' ' 37' ' ' ALA . 19.8 tttm -78.88 136.8 37.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -1.12 . . . . 3.7400000000000002 108.732 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.47 150.73 43.03 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.677 -0.639 . . . . 5.7999999999999998 109.934 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.56 158.92 14.76 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 N-CA-C 107.66 -1.708 . . . . 5.0199999999999996 107.66 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.405 0 N-CA-C 109.238 -1.545 . . . . 7.1100000000000003 109.238 -179.536 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.698 ' O ' ' N ' ' C' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 108.392 -0.966 . . . . 8.4800000000000004 108.392 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.665 ' NZ ' ' H2 ' ' C' ' 1' ' ' LYS . 1.3 mptp? 58.14 -39.31 0.05 Allowed 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.77 -0.581 . . . . 8.0999999999999996 110.283 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.698 ' N ' ' O ' ' C' ' 1' ' ' LYS . 7.1 mtmp? 54.77 151.53 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 113.71 1.004 . . . . 8.5399999999999991 113.71 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -78.05 -170.66 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 N-CA-C 102.248 -3.789 . . . . 4.6699999999999999 102.248 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 63.0 mt -88.76 116.68 27.2 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 106.435 -1.691 . . . . 5.3499999999999996 106.435 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -69.86 160.67 31.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.855 -1.165 . . . . 3.46 107.855 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.25 138.87 42.39 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.194 -1.962 . . . . 1.0900000000000001 108.194 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -52.84 132.02 36.28 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.48 -1.012 . . . . 1.77 108.316 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.51 144.15 26.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.452 -0.78 . . . . 0.55000000000000004 109.875 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.31 143.12 49.65 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.708 -0.849 . . . . 0.52000000000000002 108.708 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p -94.42 153.5 17.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.928 -1.138 . . . . 0.23999999999999999 107.928 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.7 130.51 18.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.162 -0.961 . . . . 0.27000000000000002 109.217 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.28 127.41 33.18 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.292 -1.003 . . . . 0.92000000000000004 108.292 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -119.98 120.11 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.615 -0.884 . . . . 0.27000000000000002 108.615 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.41 148.35 35.53 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.724 -0.61 . . . . 2.2400000000000002 109.408 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.98 115.57 0.35 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.464 -1.054 . . . . 0.37 110.464 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.37 -39.85 88.69 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.461 -1.023 . . . . 2.6400000000000001 109.073 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.53 86.0 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.587 -0.894 . . . . 2.1600000000000001 108.587 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.573 -0.704 . . . . 2.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.13 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.28000000000000003 109.794 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.34 -40.96 88.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.048 -1.033 . . . . 1.21 108.305 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 47.0 ttp -63.59 -50.0 71.15 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.547 -0.721 . . . . 0.60999999999999999 109.757 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.94 93.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.362 -0.836 . . . . 0.79000000000000004 109.249 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.05 -43.75 91.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.989 -1.07 . . . . 2.27 109.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 1.46 109.052 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.24 -40.2 95.37 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.297 -1.001 . . . . 0.28000000000000003 108.297 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -61.65 -56.38 20.39 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.645 0.736 . . . . 0.82999999999999996 109.852 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.66 -39.78 89.66 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.53 -0.731 . . . . 2.1699999999999999 109.422 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.15 81.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.35 -0.844 . . . . 0.20999999999999999 109.397 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.432 ' O ' ' OD1' ' C' ' 34' ' ' ASP . 84.5 mt -64.39 -41.82 96.45 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.036 -1.04 . . . . 0.28999999999999998 109.505 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.37 -39.82 88.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.252 -0.905 . . . . 1.5600000000000001 109.451 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.75 -47.95 84.0 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 0.68999999999999995 109.115 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.62 -40.45 91.93 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.312 -0.867 . . . . 1.3500000000000001 108.779 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' C' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.91 86.76 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.314 0.578 . . . . 1.24 109.66 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.53 95.7 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 108.563 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -77.48 -29.95 52.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 2.2999999999999998 108.83 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -65.59 -29.75 70.39 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.132 -1.433 . . . . 1.0600000000000001 107.132 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.17 6.12 4.39 Favored Glycine 0 N--CA 1.483 1.789 0 N-CA-C 108.437 -1.865 . . . . 1.77 108.437 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' C' ' 37' ' ' ALA . 19.8 tttm -78.92 136.77 37.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.255 -1.144 . . . . 3.7799999999999998 108.683 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.52 150.72 43.55 Favored Pre-proline 0 C--N 1.3 -1.567 0 O-C-N 121.619 -0.675 . . . . 5.7800000000000002 109.923 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.59 158.93 14.8 Favored 'Trans proline' 0 C--N 1.32 -0.926 0 N-CA-C 107.659 -1.708 . . . . 5.0199999999999996 107.659 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.26 -1.536 . . . . 7.1200000000000001 109.26 -179.479 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.689 ' O ' ' N ' ' D' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 108.369 -0.974 . . . . 8.5099999999999998 108.369 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.616 ' HZ3' ' H2 ' ' D' ' 1' ' ' LYS . 1.3 mptp? 58.19 -39.35 0.05 Allowed 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.216 0.532 . . . . 8.1600000000000001 110.306 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' D' ' 1' ' ' LYS . 7.1 mtmp? 54.76 151.54 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 N-CA-C 113.644 0.979 . . . . 8.5700000000000003 113.644 177.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -78.06 -170.58 0.99 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 N-CA-C 102.248 -3.789 . . . . 4.6799999999999997 102.248 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.78 116.63 27.19 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.406 -1.702 . . . . 5.3499999999999996 106.406 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -69.82 160.73 31.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.869 -1.16 . . . . 3.4700000000000002 107.869 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.25 138.81 42.5 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.233 -1.947 . . . . 1.1000000000000001 108.233 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -52.81 132.02 36.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.406 -1.055 . . . . 1.8 108.361 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -89.55 144.21 26.2 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.528 -0.732 . . . . 0.56999999999999995 109.867 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.29 143.12 49.68 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.751 -0.833 . . . . 0.53000000000000003 108.751 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -94.56 153.46 17.87 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.896 -1.149 . . . . 0.23999999999999999 107.896 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.65 130.56 18.2 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.196 -0.94 . . . . 0.27000000000000002 109.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.29 127.51 33.28 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.255 -1.016 . . . . 0.91000000000000003 108.255 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.04 119.94 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.643 -0.873 . . . . 0.26000000000000001 108.643 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.35 148.33 35.66 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.766 -0.584 . . . . 2.25 109.469 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.04 115.59 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.425 -1.07 . . . . 0.37 110.425 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.32 -39.89 88.67 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.511 -0.994 . . . . 2.6000000000000001 109.117 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.43 86.19 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.599 -0.889 . . . . 2.1400000000000001 108.599 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.05 -39.91 87.63 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.627 -0.671 . . . . 1.99 109.263 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.14 -48.62 80.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.28000000000000003 109.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.37 -41.01 88.29 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.052 -1.03 . . . . 1.1799999999999999 108.321 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.54 -50.08 70.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.629 -0.669 . . . . 0.60999999999999999 109.75 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.81 -40.02 93.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.401 -0.812 . . . . 0.78000000000000003 109.25 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -58.98 -43.69 91.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.037 . . . . 2.27 109.607 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.135 -0.978 . . . . 1.4199999999999999 109.025 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.21 -40.25 95.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.261 -1.014 . . . . 0.29999999999999999 108.261 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -61.61 -56.38 20.48 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.565 0.698 . . . . 0.83999999999999997 109.902 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.5 -40.02 89.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.611 -0.681 . . . . 2.1699999999999999 109.394 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.13 81.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.336 -0.853 . . . . 0.20000000000000001 109.385 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.433 ' O ' ' OD1' ' D' ' 34' ' ' ASP . 84.8 mt -64.2 -42.11 96.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.011 -1.056 . . . . 0.28999999999999998 109.438 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.005 . . . . 1.5700000000000001 109.546 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.66 -48.02 83.64 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.325 -0.86 . . . . 0.69999999999999996 109.076 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.54 -40.49 91.75 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.249 -0.907 . . . . 1.3500000000000001 108.764 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' D' ' 30' ' ' LEU . 1.1 m-20 -59.81 -40.1 87.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.234 0.54 . . . . 1.26 109.576 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.6 95.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.263 -0.898 . . . . 0.58999999999999997 108.578 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -77.46 -30.01 53.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 2.2799999999999998 108.784 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -65.52 -29.78 70.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.153 -1.425 . . . . 1.03 107.153 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.15 6.07 4.41 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.411 -1.875 . . . . 1.74 108.411 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' D' ' 37' ' ' ALA . 19.8 tttm -78.86 137.28 37.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.29 -1.123 . . . . 3.7400000000000002 108.656 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -58.15 150.24 53.03 Favored Pre-proline 0 C--N 1.3 -1.576 0 O-C-N 121.703 -0.623 . . . . 5.75 109.99 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.21 158.95 13.71 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 N-CA-C 107.605 -1.729 . . . . 5.0700000000000003 107.605 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.424 0 N-CA-C 109.242 -1.543 . . . . 7.1699999999999999 109.242 -179.52 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.242 -0.651 . . . . 7.3300000000000001 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.8 mttp 51.88 42.03 29.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -0.792 . . . . 7.21 110.019 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 51.19 72.32 1.26 Allowed Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.915 -1.116 . . . . 6.4699999999999998 109.183 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -60.4 -80.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.782 1.654 . . . . 4.5300000000000002 110.567 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.33 114.61 16.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 4.3499999999999996 109.452 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -82.46 130.61 35.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 2.48 109.491 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -69.3 139.88 32.95 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 108.434 -1.867 . . . . 0.97999999999999998 108.434 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.02 126.95 29.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.046 -1.267 . . . . 1.7 109.362 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 98.3 m-85 -110.14 147.4 33.76 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.593 -0.692 . . . . 0.60999999999999999 109.421 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -138.1 137.08 37.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.366 -0.834 . . . . 0.57999999999999996 109.701 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.51 155.02 19.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.41999999999999998 109.067 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.1 tp -147.04 130.75 16.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.101 -0.999 . . . . 0.35999999999999999 109.247 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -84.01 127.1 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.747 -0.835 . . . . 1.3700000000000001 108.747 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.56 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.275 -0.891 . . . . 0.46999999999999997 109.264 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -77.72 145.28 36.65 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.47 -0.769 . . . . 2.1000000000000001 110.443 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 117.18 1.05 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.6 -1.0 . . . . 0.41999999999999998 110.6 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 17' ' ' ARG . 40.5 ttt-85 -65.33 -42.22 93.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.188 -1.183 . . . . 2.6800000000000002 109.296 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.65 -40.19 91.11 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.808 -1.182 . . . . 2.2200000000000002 107.946 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.484 HH22 ' CG ' ' C' ' 34' ' ' ASP . 38.0 ttm180 -61.85 -38.02 86.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 2.77 108.771 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.44 -45.24 92.15 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.018 -1.051 . . . . 0.42999999999999999 109.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.56 -40.79 88.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.115 -0.991 . . . . 1.6599999999999999 109.236 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -60.79 -49.66 76.58 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.704 -0.85 . . . . 0.44 108.704 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.71 -39.61 92.1 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.611 -0.885 . . . . 0.28999999999999998 108.611 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.81 -46.96 83.94 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.534 -0.913 . . . . 2.4399999999999999 108.534 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.24 -47.19 87.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.487 -0.758 . . . . 1.74 109.153 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.06 -45.55 94.29 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.191 -0.943 . . . . 0.29999999999999999 109.089 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.31 -49.73 76.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.339 -0.851 . . . . 1.22 109.343 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.2 -40.88 95.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 1.72 109.758 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.84 -50.2 74.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.92 . . . . 0.27000000000000002 110.11 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.37 -43.48 98.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.128 -0.983 . . . . 0.28999999999999998 109.474 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -40.78 90.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.071 -1.018 . . . . 1.9099999999999999 109.383 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.128 -1.064 . . . . 0.40999999999999998 108.128 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.72 -40.48 92.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.514 -0.741 . . . . 1.5600000000000001 109.113 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.35 -40.45 90.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.39 -0.819 . . . . 1.4299999999999999 109.666 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.73 68.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.492 -0.755 . . . . 0.66000000000000003 109.312 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -73.8 -26.67 60.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.361 -0.837 . . . . 1.1799999999999999 109.211 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.89 -7.7 30.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.23 109.241 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.72 7.71 13.14 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.293 -1.523 . . . . 1.54 109.293 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -83.51 134.55 34.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.331 -1.099 . . . . 4.1799999999999997 109.408 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -57.42 148.97 51.91 Favored Pre-proline 0 C--N 1.304 -1.373 0 O-C-N 121.229 -0.919 . . . . 5.71 109.059 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.95 174.75 0.28 Allowed 'Trans proline' 0 C--N 1.323 -0.798 0 C-N-CA 121.012 1.142 . . . . 5.6100000000000003 109.7 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.395 -1.482 . . . . 7.2400000000000002 109.395 179.63 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.151 -0.685 . . . . 7.3399999999999999 109.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 52.56 41.88 31.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.541 -0.724 . . . . 7.1699999999999999 109.897 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 tttp 52.03 71.44 1.48 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.059 -1.025 . . . . 6.4400000000000004 109.261 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.77 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.046 0 C-N-CA 121.758 1.638 . . . . 4.54 110.653 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.46 115.01 16.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.888 -1.133 . . . . 4.3200000000000003 109.451 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -81.97 130.1 34.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.384 -0.823 . . . . 2.4700000000000002 109.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.528 ' O ' ' CD2' ' B' ' 9' ' ' TYR . . . -69.31 140.06 33.22 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.784 -1.726 . . . . 0.94999999999999996 108.784 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.43 126.74 28.43 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.057 -1.261 . . . . 1.6100000000000001 109.247 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 7' ' ' GLY . 98.1 m-85 -110.41 146.16 36.35 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.299 -0.63 . . . . 0.56999999999999995 109.299 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.81 137.93 38.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.39 -0.819 . . . . 0.53000000000000003 109.543 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.5 p -89.38 155.13 19.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.38 109.069 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.34 130.52 16.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.039 -1.038 . . . . 0.35999999999999999 109.312 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -83.95 126.56 33.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 108.801 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.16 120.16 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 121.491 -0.756 . . . . 0.48999999999999999 109.451 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -78.2 144.25 36.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 2.1000000000000001 110.466 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.58 115.92 1.14 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.714 -0.955 . . . . 0.44 110.714 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' B' ' 17' ' ' ARG . 39.5 ttt-85 -63.51 -42.91 98.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -1.185 . . . . 2.7200000000000002 109.163 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.04 -40.94 91.15 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.794 -1.191 . . . . 2.21 107.964 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.48 HH22 ' CG ' ' D' ' 34' ' ' ASP . 38.6 ttm180 -60.67 -38.79 86.1 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.87 -0.789 . . . . 2.79 108.87 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -59.11 -45.39 91.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.397 -0.814 . . . . 0.45000000000000001 110.116 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.91 -40.78 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.017 -1.052 . . . . 1.6799999999999999 109.092 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.1 ttp -60.15 -50.07 75.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.837 -0.801 . . . . 0.42999999999999999 108.837 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.91 -39.49 92.19 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.824 -0.806 . . . . 0.28000000000000003 108.824 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -57.69 -46.92 83.69 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.412 -0.959 . . . . 2.52 108.412 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.89 -46.71 88.45 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.069 -0.715 . . . . 1.75 109.069 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.66 -46.31 90.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.188 -0.945 . . . . 0.31 109.178 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.0 -49.65 76.85 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.195 -0.94 . . . . 1.21 109.285 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.01 -40.33 93.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 1.6899999999999999 109.607 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -60.65 -50.9 71.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.269 -0.894 . . . . 0.27000000000000002 109.76 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.82 -43.5 98.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.061 -1.024 . . . . 0.29999999999999999 109.62 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -40.26 88.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 1.9299999999999999 109.533 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.41 -47.14 87.39 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.998 -1.112 . . . . 0.40000000000000002 107.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.23 -40.69 91.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.376 -0.828 . . . . 1.5900000000000001 108.952 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -60.05 -40.84 90.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 1.4299999999999999 109.566 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.94 67.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.548 -0.72 . . . . 0.65000000000000002 109.34 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -74.02 -26.61 60.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.1899999999999999 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.07 -8.87 41.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 1.22 109.188 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.16 6.85 9.1 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.159 -1.577 . . . . 1.53 109.159 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -82.65 134.47 35.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -1.084 . . . . 4.21 109.268 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.82 148.61 57.69 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 5.6799999999999997 109.278 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.18 174.35 0.23 Allowed 'Trans proline' 0 C--N 1.324 -0.729 0 C-N-CA 120.948 1.098 . . . . 5.5700000000000003 109.682 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.015 -1.436 . . . . 7.2000000000000002 109.582 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.392 0.615 . . . . 8.9600000000000009 109.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 51.52 42.53 29.53 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.255 -0.903 . . . . 8.1500000000000004 110.229 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 51.23 73.07 1.04 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.029 -1.044 . . . . 7.1500000000000004 109.064 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.79 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.871 0 C-N-CA 121.839 1.693 . . . . 4.3499999999999996 110.448 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.87 114.74 17.02 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.896 -1.128 . . . . 4.6299999999999999 109.434 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -82.12 130.46 35.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.362 -0.836 . . . . 2.8500000000000001 109.459 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' GLY . . . . . 0.53 ' O ' ' CD2' ' C' ' 9' ' ' TYR . . . -69.31 139.65 32.55 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.589 -1.805 . . . . 1.1200000000000001 108.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.81 127.35 30.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.82 -1.4 . . . . 2.1099999999999999 109.412 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' C' ' 7' ' ' GLY . 98.3 m-85 -110.98 145.75 37.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 0.64000000000000001 109.261 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -136.83 136.91 39.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.405 -0.809 . . . . 0.48999999999999999 109.38 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 69.4 p -88.48 154.85 20.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.839 . . . . 0.46999999999999997 108.947 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -147.04 131.15 17.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.267 -0.895 . . . . 0.41999999999999998 109.185 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.46 127.25 33.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.286 -0.884 . . . . 1.8100000000000001 109.06 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.19 120.07 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.34 -0.85 . . . . 0.41999999999999998 109.583 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.59 144.2 35.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.829 . . . . 2.3500000000000001 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.57 116.27 1.16 Allowed Glycine 0 N--CA 1.501 2.97 0 N-CA-C 110.647 -0.981 . . . . 0.40999999999999998 110.647 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' C' ' 17' ' ' ARG . 41.1 ttt-85 -63.65 -42.98 98.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -1.135 . . . . 2.5899999999999999 109.258 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.14 -41.48 92.79 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.707 -1.22 . . . . 2.54 107.707 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -60.01 -38.43 82.61 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.772 -0.825 . . . . 3.3900000000000001 108.772 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.74 -45.36 92.44 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.327 -0.858 . . . . 0.46999999999999997 110.41 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.55 89.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.051 -1.031 . . . . 1.6599999999999999 109.145 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.68 -49.98 75.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.737 -0.838 . . . . 0.60999999999999999 108.737 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.36 -39.91 92.34 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.86 -0.793 . . . . 0.33000000000000002 108.86 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.27 -47.71 80.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.519 -0.919 . . . . 3.2799999999999998 108.519 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -47.36 86.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 1.78 109.264 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.68 -46.54 89.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 0.38 109.143 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.509 -0.744 . . . . 1.2 109.279 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.42 -41.36 93.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.912 . . . . 2.1200000000000001 109.718 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.29 -50.15 74.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.33 -0.857 . . . . 0.26000000000000001 109.955 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.15 -43.36 99.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.012 . . . . 0.40000000000000002 109.34 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -40.96 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.036 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.87 -46.75 88.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.942 -1.099 . . . . 0.75 108.376 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.45 -40.57 91.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.444 -0.785 . . . . 2.1899999999999999 109.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.484 ' CG ' HH22 ' A' ' 19' ' ' ARG . 81.7 m-20 -59.99 -41.21 91.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 1.3400000000000001 109.246 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.6 67.47 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.417 -0.802 . . . . 0.71999999999999997 109.496 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -74.64 -25.19 59.05 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.29 -0.881 . . . . 1.8 109.271 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.87 -8.23 42.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.141 -0.975 . . . . 1.3899999999999999 109.256 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.84 7.05 10.0 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.303 -1.519 . . . . 1.6599999999999999 109.303 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -82.71 134.98 35.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.222 -1.163 . . . . 4.4500000000000002 109.311 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.86 148.94 56.66 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.412 -0.805 . . . . 6.1900000000000004 109.142 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.49 170.95 0.72 Allowed 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.224 1.283 . . . . 5.5800000000000001 109.748 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 109.531 -1.427 . . . . 6.9000000000000004 109.531 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.217 -0.66 . . . . 7.3600000000000003 109.217 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 52.55 42.48 31.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 7.1500000000000004 109.941 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp 51.38 72.93 1.07 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.065 . . . . 6.5 109.083 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.56 -80.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.684 1.59 . . . . 4.5 110.703 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -77.89 114.49 16.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.84 -1.163 . . . . 4.3200000000000003 109.113 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -82.45 131.03 35.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.264 -0.897 . . . . 2.46 109.312 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' D' ' 9' ' ' TYR . . . -69.7 140.09 32.69 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.726 -1.749 . . . . 0.96999999999999997 108.726 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.81 126.81 28.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.904 -1.35 . . . . 1.6699999999999999 109.577 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' D' ' 7' ' ' GLY . 98.4 m-85 -110.47 146.73 35.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.578 -0.701 . . . . 0.60999999999999999 109.261 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.07 136.71 37.07 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.43 -0.794 . . . . 0.56000000000000005 109.878 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 68.4 p -88.5 154.9 19.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.42999999999999999 109.003 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -146.54 130.17 16.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.094 -1.004 . . . . 0.34999999999999998 109.078 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -83.69 126.5 32.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 108.808 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.2 mt -120.06 120.14 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.419 -0.801 . . . . 0.47999999999999998 109.518 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.49 143.91 36.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.445 -0.784 . . . . 2.0800000000000001 110.449 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 115.84 1.32 Allowed Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.661 -0.976 . . . . 0.40000000000000002 110.661 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' D' ' 17' ' ' ARG . 40.9 ttt-85 -64.08 -43.11 96.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.175 -1.191 . . . . 2.6400000000000001 109.255 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.08 -40.17 88.63 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.558 -1.339 . . . . 2.2200000000000002 107.937 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.86 -38.4 88.13 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.414 -0.958 . . . . 2.7400000000000002 108.414 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.18 -45.39 91.15 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.298 -0.876 . . . . 0.42999999999999999 110.03 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.8 -41.13 90.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.951 -1.093 . . . . 1.6899999999999999 109.193 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.3 ttp -60.04 -49.65 76.8 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.812 -0.81 . . . . 0.42999999999999999 108.812 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.92 -39.59 92.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.27000000000000002 108.856 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.75 -47.07 83.52 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.3 -1.0 . . . . 2.4500000000000002 108.3 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.477 -0.765 . . . . 1.75 109.186 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.47 -45.89 92.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.326 -0.859 . . . . 0.31 108.952 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -60.24 -49.59 77.03 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.518 -0.739 . . . . 1.22 109.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.22 -40.81 95.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 1.73 109.784 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.33 -51.06 71.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.28000000000000003 109.589 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.03 -43.09 99.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.087 -1.008 . . . . 0.31 109.714 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.17 -40.27 89.37 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.922 -1.112 . . . . 1.9099999999999999 109.421 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.32 -47.21 86.99 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.009 -1.108 . . . . 0.42999999999999999 108.009 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.04 -40.64 90.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.42 -0.8 . . . . 1.5700000000000001 109.109 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.48 ' CG ' HH22 ' B' ' 19' ' ' ARG . 84.3 m-20 -60.01 -40.32 88.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.209 -0.932 . . . . 1.4399999999999999 109.795 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -26.45 66.58 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.283 -0.885 . . . . 0.64000000000000001 109.415 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -73.54 -27.0 61.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.135 -0.691 . . . . 1.21 109.135 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -68.3 -8.63 41.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 1.22 109.363 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.84 7.24 7.56 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.16 -1.576 . . . . 1.5 109.16 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' D' ' 37' ' ' ALA . 87.3 tttt -83.35 136.5 34.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -1.171 . . . . 4.1799999999999997 109.364 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.77 148.64 75.17 Favored Pre-proline 0 N--CA 1.488 1.431 0 O-C-N 121.258 -0.901 . . . . 5.6699999999999999 109.179 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.19 173.29 0.46 Allowed 'Trans proline' 0 C--N 1.321 -0.879 0 C-N-CA 120.906 1.071 . . . . 5.6500000000000004 109.853 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 109.642 -1.383 . . . . 7.2699999999999996 109.642 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 7.3300000000000001 109.414 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt 50.86 90.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 7.21 109.462 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 49.84 67.86 4.02 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.278 -0.889 . . . . 6.4699999999999998 109.615 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -60.51 164.61 12.84 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 C-N-CA 121.468 1.446 . . . . 4.5300000000000002 109.686 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.76 133.37 36.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.25 -0.906 . . . . 4.3499999999999996 109.335 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -82.73 1.49 38.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 2.48 109.724 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.92 136.41 35.54 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.613 -1.395 . . . . 0.97999999999999998 109.613 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 139.99 57.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -1.053 . . . . 1.7 109.711 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -97.09 147.06 24.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.331 -0.855 . . . . 0.60999999999999999 109.536 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.71 138.91 43.22 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.35 -0.844 . . . . 0.57999999999999996 109.419 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -89.5 154.34 20.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.41999999999999998 108.985 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.83 133.81 21.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.158 -0.964 . . . . 0.35999999999999999 109.423 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.444 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.8 tt0 -84.88 127.76 34.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.3700000000000001 108.876 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 120.07 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.419 -0.8 . . . . 0.46999999999999997 109.514 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.64 36.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 2.1000000000000001 110.082 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.38 123.25 0.62 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.487 -1.045 . . . . 0.41999999999999998 110.487 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -65.63 -41.58 92.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.397 -1.061 . . . . 2.6800000000000002 109.241 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.52 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.355 -0.84 . . . . 2.2200000000000002 109.279 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.4 ttm180 -60.76 -40.55 92.92 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.234 -0.916 . . . . 2.77 108.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.92 -47.98 83.56 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.42999999999999999 109.046 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -40.7 89.68 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.976 -1.12 . . . . 1.6599999999999999 107.976 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 30.8 ttp -63.2 -50.13 71.51 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.501 -0.749 . . . . 0.44 109.176 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.57 -39.98 93.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.655 -0.868 . . . . 0.28999999999999998 108.655 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -56.21 -47.73 77.82 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.316 -0.994 . . . . 2.4399999999999999 108.316 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.18 -46.74 88.66 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.391 -0.818 . . . . 1.74 108.913 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.6 92.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.162 -0.961 . . . . 0.29999999999999999 109.207 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -60.06 -50.03 75.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.54 -40.03 93.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 1.72 109.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.96 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.213 -0.929 . . . . 0.27000000000000002 109.621 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.01 -44.65 96.27 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 109.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.98 94.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.318 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.32 -49.94 75.58 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.239 -0.913 . . . . 0.40999999999999998 109.059 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.31 -41.05 92.64 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.515 -0.741 . . . . 1.5600000000000001 109.559 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.545 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 97.5 m-20 -60.05 -40.2 88.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 1.4299999999999999 109.596 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.12 97.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.322 -0.861 . . . . 0.66000000000000003 109.656 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -83.04 -10.2 58.86 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.09 -1.006 . . . . 1.1799999999999999 109.495 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.07 79.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.23 109.442 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.99 79.92 1.87 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.657 -1.377 . . . . 1.54 109.657 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.39 126.38 34.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -1.183 . . . . 4.1799999999999997 108.949 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.14 149.96 43.53 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.106 -0.996 . . . . 5.71 108.942 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.45 149.21 48.39 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.023 1.149 . . . . 5.6100000000000003 109.732 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.32 -1.512 . . . . 7.2400000000000002 109.32 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.42 -0.585 . . . . 7.3399999999999999 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt 50.7 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.118 -0.988 . . . . 7.1699999999999999 109.477 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 tttm 49.92 67.86 4.01 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 6.4400000000000004 109.627 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.91 164.34 14.27 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 121.47 1.447 . . . . 4.54 109.848 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.61 133.27 36.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.32 -0.863 . . . . 4.3200000000000003 109.22 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.56 -0.12 45.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 2.4700000000000002 109.595 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.97 136.77 43.6 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.661 -1.376 . . . . 0.94999999999999996 109.661 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.96 140.02 58.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.402 -1.058 . . . . 1.6100000000000001 109.563 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' TYR . . . . . 0.452 ' CB ' HE21 ' D' ' 13' ' ' GLN . 89.9 m-85 -96.7 147.79 23.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.313 -0.867 . . . . 0.56999999999999995 109.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.54 139.45 42.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.315 -0.866 . . . . 0.53000000000000003 109.47 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -89.78 154.42 19.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.219 -0.925 . . . . 0.38 108.915 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 tp -146.24 134.01 21.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 0.35999999999999999 109.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.475 HE21 ' CB ' ' D' ' 9' ' ' TYR . 61.6 tt0 -85.24 127.83 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.812 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.98 119.98 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.365 -0.834 . . . . 0.48999999999999999 109.47 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.65 36.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.1000000000000001 109.969 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.49 123.68 0.65 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.367 -1.093 . . . . 0.44 110.367 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -66.37 -41.43 89.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.325 -1.103 . . . . 2.7200000000000002 109.162 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.14 93.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.335 -0.853 . . . . 2.21 109.183 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.7 ttm180 -61.34 -40.22 93.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 2.79 108.844 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.92 -48.21 82.63 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.354 -0.841 . . . . 0.45000000000000001 109.019 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.7 89.2 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.279 -1.008 . . . . 1.6799999999999999 108.279 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 32.7 ttp -63.42 -49.91 71.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.385 -0.822 . . . . 0.42999999999999999 109.03 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.55 -39.97 93.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.28000000000000003 108.815 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -56.52 -47.75 78.7 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.392 -0.966 . . . . 2.52 108.392 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -46.57 89.09 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.397 -0.815 . . . . 1.75 108.933 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.02 -45.51 93.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 0.31 109.159 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.1 -49.98 75.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 1.21 109.567 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.88 -39.9 93.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.95 -50.07 75.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.27000000000000002 109.623 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.59 -45.25 94.93 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 0.29999999999999999 109.201 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.58 92.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9299999999999999 109.557 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.873 . . . . 0.40000000000000002 109.095 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.14 -41.32 92.45 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.414 -0.804 . . . . 1.5900000000000001 109.452 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.8 m-20 -60.12 -39.92 87.93 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.127 -0.983 . . . . 1.4299999999999999 109.45 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.73 96.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.65000000000000002 109.633 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -82.6 -10.23 59.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 1.1899999999999999 109.604 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.98 78.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.075 -1.016 . . . . 1.22 109.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.58 79.47 1.89 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.72 -1.352 . . . . 1.53 109.72 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.28 126.78 35.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.116 -1.226 . . . . 4.21 108.96 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.3 149.95 45.37 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.171 -0.955 . . . . 5.6799999999999997 108.844 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 149.91 49.66 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 120.894 1.062 . . . . 5.5700000000000003 109.819 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 118.009 -1.439 . . . . 7.2000000000000002 109.654 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.469 -0.567 . . . . 8.9600000000000009 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 50.97 90.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.923 . . . . 8.1500000000000004 109.449 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 48.1 tttm 49.9 68.05 3.83 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 7.1500000000000004 109.662 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -60.92 164.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 121.565 1.51 . . . . 4.3499999999999996 109.887 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -79.28 133.15 36.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.367 -0.833 . . . . 4.6299999999999999 109.442 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.64 0.94 40.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.375 -0.828 . . . . 2.8500000000000001 109.631 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.97 136.38 37.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.676 -1.37 . . . . 1.1200000000000001 109.676 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 139.95 58.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -1.085 . . . . 2.1099999999999999 109.721 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' TYR . . . . . 0.444 ' CB ' HE21 ' A' ' 13' ' ' GLN . 89.7 m-85 -96.84 147.46 23.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.231 -0.918 . . . . 0.64000000000000001 109.582 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.14 139.43 42.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.368 -0.833 . . . . 0.48999999999999999 109.466 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 153.93 20.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.195 -0.941 . . . . 0.46999999999999997 108.977 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.73 133.8 21.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.14 -0.975 . . . . 0.41999999999999998 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.85 127.9 34.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.391 -0.818 . . . . 1.8100000000000001 108.793 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 120.13 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 121.437 -0.79 . . . . 0.41999999999999998 109.399 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.37 150.02 36.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 2.3500000000000001 109.932 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 123.26 0.55 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.578 -1.009 . . . . 0.40999999999999998 110.578 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.71 -41.8 91.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -1.065 . . . . 2.5899999999999999 109.38 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -42.49 94.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 2.54 109.119 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.545 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 43.7 ttm180 -61.08 -40.38 93.46 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.238 -0.914 . . . . 3.3900000000000001 108.724 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.11 -48.0 83.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.365 -0.834 . . . . 0.46999999999999997 108.837 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.95 -40.62 89.61 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.239 -1.023 . . . . 1.6599999999999999 108.239 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.2 ttp -63.3 -50.08 71.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 0.60999999999999999 109.079 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.44 -39.95 92.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.92 -0.77 . . . . 0.33000000000000002 108.92 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.57 -47.66 79.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.425 -0.954 . . . . 3.2799999999999998 108.425 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.11 -46.95 87.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.376 -0.828 . . . . 1.78 108.793 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.71 -45.6 93.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 0.38 109.166 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.03 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 1.2 109.545 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.69 -39.99 93.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.403 -0.81 . . . . 2.1200000000000001 109.974 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.373 -0.829 . . . . 0.26000000000000001 109.606 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.85 -44.89 95.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.025 -1.047 . . . . 0.40000000000000002 109.225 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.19 -41.2 92.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.465 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.24 -49.89 75.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.75 109.173 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.5 -41.13 93.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 2.1899999999999999 109.494 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.1 m-20 -60.05 -39.89 87.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.389 -0.819 . . . . 1.3400000000000001 109.522 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.49 97.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.265 -0.897 . . . . 0.71999999999999997 109.648 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -82.76 -9.98 59.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.006 -1.059 . . . . 1.8 109.496 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.97 78.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 1.3899999999999999 109.377 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.83 80.33 1.82 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.707 -1.357 . . . . 1.6599999999999999 109.707 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.45 126.34 34.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.133 -1.216 . . . . 4.4500000000000002 108.899 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.42 149.72 47.86 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.226 -0.921 . . . . 6.1900000000000004 108.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.94 147.6 62.04 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.05 1.167 . . . . 5.5800000000000001 109.89 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.517 -1.433 . . . . 6.9000000000000004 109.517 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.515 -0.55 . . . . 7.3600000000000003 109.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 51.2 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.052 -1.03 . . . . 7.1500000000000004 109.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 49.3 tttm 49.86 67.82 4.05 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.978 . . . . 6.5 109.723 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -60.88 164.39 14.09 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 121.432 1.421 . . . . 4.5 109.923 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.57 133.37 36.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.911 . . . . 4.3200000000000003 109.253 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.66 1.14 39.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.309 -0.869 . . . . 2.46 109.656 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.96 136.56 38.03 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.679 -1.368 . . . . 0.96999999999999997 109.679 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.43 140.05 58.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.41 -1.053 . . . . 1.6699999999999999 109.607 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.475 ' CB ' HE21 ' B' ' 13' ' ' GLN . 90.5 m-85 -96.98 147.55 23.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.212 -0.93 . . . . 0.60999999999999999 109.487 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.12 139.61 43.08 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.275 -0.89 . . . . 0.56000000000000005 109.477 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 63.4 p -89.61 154.81 19.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.188 -0.945 . . . . 0.42999999999999999 108.914 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -146.54 132.86 19.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.068 -1.02 . . . . 0.34999999999999998 109.516 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' GLN . . . . . 0.452 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.7 tt0 -84.25 127.76 34.15 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.724 -0.843 . . . . 1.3700000000000001 108.724 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.11 119.94 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.363 -0.836 . . . . 0.47999999999999998 109.485 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.44 149.58 36.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.354 -0.841 . . . . 2.0800000000000001 110.069 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.45 124.01 0.66 Allowed Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.301 -1.12 . . . . 0.40000000000000002 110.301 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.66 -40.93 88.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.261 -1.141 . . . . 2.6400000000000001 109.121 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.79 95.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 2.2200000000000002 109.14 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.4 ttm180 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.281 -0.887 . . . . 2.7400000000000002 108.892 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.07 -47.91 83.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.008 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.94 -40.4 88.84 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.199 -1.037 . . . . 1.6899999999999999 108.199 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 32.1 ttp -63.64 -50.0 71.04 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.22 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.39 -39.9 92.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.821 -0.807 . . . . 0.27000000000000002 108.821 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -56.41 -47.58 78.73 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.307 -0.997 . . . . 2.4500000000000002 108.307 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.22 -46.43 89.78 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.491 -0.756 . . . . 1.75 108.963 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.23 -45.87 91.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.254 -0.904 . . . . 0.31 109.107 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.98 -49.91 75.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.386 -0.821 . . . . 1.22 109.536 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 1.73 109.909 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.97 -50.05 75.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.129 -0.982 . . . . 0.28000000000000003 109.57 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.58 -45.4 94.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.138 -0.976 . . . . 0.31 109.267 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.36 92.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.372 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.08 -49.84 76.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 109.024 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.25 -41.16 92.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.43 -0.794 . . . . 1.5700000000000001 109.4 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.01 -40.09 88.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.353 -0.842 . . . . 1.4399999999999999 109.595 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.267 -0.895 . . . . 0.64000000000000001 109.617 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -82.83 -10.05 59.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.123 -0.985 . . . . 1.21 109.466 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.93 78.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 1.22 109.364 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.63 79.58 1.88 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.566 -1.413 . . . . 1.5 109.566 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -87.12 128.48 35.12 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.261 -1.14 . . . . 4.1799999999999997 108.829 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -59.88 150.02 70.53 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.071 -1.018 . . . . 5.6699999999999999 108.709 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.37 148.48 51.36 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 120.991 1.127 . . . . 5.6500000000000004 109.614 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.896 -1.502 . . . . 7.2699999999999996 109.389 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 3' ' ' LYS . 47.2 mtmt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.137 -0.69 . . . . 7.3300000000000001 109.137 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 3' ' ' LYS . 62.3 tttm 63.41 -50.37 0.23 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.96 -0.462 . . . . 7.21 110.215 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 1' ' ' LYS . 23.5 mtmt 59.85 149.13 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 6.4699999999999998 109.286 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.57 -83.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.734 0 N-CA-C 109.45 -1.019 . . . . 4.5300000000000002 109.45 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.8 121.95 29.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.194 -0.942 . . . . 4.3499999999999996 109.348 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -81.75 127.04 32.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 2.48 109.491 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' O ' ' CE1' ' A' ' 9' ' ' TYR . . . -69.55 139.97 32.72 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 108.983 -1.647 . . . . 0.97999999999999998 108.983 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.04 133.93 56.56 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.105 -1.233 . . . . 1.7 109.138 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 95.7 m-85 -109.27 142.65 39.83 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.598 -0.689 . . . . 0.60999999999999999 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -133.99 140.46 46.73 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.271 -0.893 . . . . 0.57999999999999996 109.698 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.28 155.56 19.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.243 -0.911 . . . . 0.41999999999999998 109.195 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.92 130.04 16.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.056 -1.027 . . . . 0.35999999999999999 109.352 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 128.32 34.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 1.3700000000000001 108.978 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.0 119.97 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.307 -0.871 . . . . 0.46999999999999997 109.648 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -76.98 145.0 38.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.327 -0.858 . . . . 2.1000000000000001 109.912 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.76 112.72 1.86 Allowed Glycine 0 N--CA 1.499 2.833 0 N-CA-C 110.409 -1.076 . . . . 0.41999999999999998 110.409 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -60.07 -49.37 77.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -1.085 . . . . 2.6800000000000002 109.284 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.2200000000000002 108.698 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.614 ' NH1' HD22 ' C' ' 30' ' ' LEU . 10.2 tpp180 -60.15 -38.69 83.89 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.756 . . . . 2.77 109.467 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.04 -42.84 86.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.858 . . . . 0.42999999999999999 109.513 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.59 86.22 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.165 -0.96 . . . . 1.6599999999999999 108.594 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.6 ttp -59.95 -50.85 72.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.464 -0.773 . . . . 0.44 109.69 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -62.99 -40.09 96.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 0.28999999999999998 109.29 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -52.97 -48.78 67.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 2.4399999999999999 109.273 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.431 ' CD ' HH12 ' D' ' 19' ' ' ARG . 84.4 tt0 -60.01 -47.26 86.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.11 -0.994 . . . . 1.74 109.359 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -46.2 89.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.139 -0.975 . . . . 0.29999999999999999 108.916 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -59.85 -50.16 74.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 1.22 109.618 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.397 -0.815 . . . . 1.72 109.774 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.0 -47.72 82.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.127 -0.983 . . . . 0.27000000000000002 109.317 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' NH1' ' C' ' 19' ' ' ARG . 86.3 mt -61.26 -41.86 97.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.068 -1.02 . . . . 0.28999999999999998 109.288 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.38 -41.01 92.87 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.179 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.18 -49.98 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.40999999999999998 109.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.27 -40.2 95.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 1.5600000000000001 109.443 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.12 -39.93 87.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.406 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.15 95.68 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.372 -0.83 . . . . 0.66000000000000003 109.282 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -72.42 -40.05 67.41 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.199 -0.938 . . . . 1.1799999999999999 109.341 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.53 -10.06 59.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.393 -0.817 . . . . 1.23 109.617 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.85 9.02 6.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.208 -1.157 . . . . 1.54 110.208 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -86.7 111.9 21.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.967 -1.313 . . . . 4.1799999999999997 109.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 42' ' ' GLY . 51.7 mm-40 -60.08 150.04 72.05 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.384 -0.823 . . . . 5.71 109.122 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.0 3.92 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 120.89 1.06 . . . . 5.6100000000000003 109.931 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.588 -1.405 . . . . 7.2400000000000002 109.588 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' B' ' 3' ' ' LYS . 47.8 mtmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.318 -0.623 . . . . 7.3399999999999999 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 3' ' ' LYS . 63.6 tttm 63.15 -50.07 0.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 122.065 -0.397 . . . . 7.1699999999999999 110.095 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' B' ' 1' ' ' LYS . 23.5 mtmt 60.11 149.83 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.295 -0.878 . . . . 6.4400000000000004 109.236 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.96 -83.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.722 0 N-CA-C 109.49 -1.004 . . . . 4.54 109.49 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.03 121.19 28.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.109 -0.994 . . . . 4.3200000000000003 109.415 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.65 129.26 34.41 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.228 -0.92 . . . . 2.4700000000000002 109.419 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -71.53 141.26 31.91 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.734 -1.747 . . . . 0.94999999999999996 108.734 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -61.15 134.68 57.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.994 -1.298 . . . . 1.6100000000000001 109.309 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 96.0 m-85 -109.69 142.92 40.18 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 109.206 -0.664 . . . . 0.56999999999999995 109.206 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -134.17 140.84 46.8 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.303 -0.873 . . . . 0.53000000000000003 109.686 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -88.74 154.77 20.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.858 . . . . 0.38 109.268 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -146.27 129.98 17.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.062 -1.024 . . . . 0.35999999999999999 109.346 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -85.85 128.21 34.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 1.3600000000000001 109.014 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.4 mt -120.08 120.06 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.389 -0.82 . . . . 0.48999999999999999 109.531 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -76.92 145.08 38.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.923 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.68 112.66 1.83 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.425 -1.07 . . . . 0.44 110.425 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.98 -49.49 77.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.376 -1.073 . . . . 2.7200000000000002 109.436 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.643 -0.873 . . . . 2.21 108.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.642 ' NH1' HD22 ' D' ' 30' ' ' LEU . 9.9 tpp180 -60.02 -39.64 86.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.659 -0.651 . . . . 2.79 109.337 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.32 -42.91 82.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.45000000000000001 109.466 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.92 -39.31 85.02 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.659 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 39.5 ttp -59.94 -50.8 72.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 0.42999999999999999 109.762 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -63.05 -40.05 96.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.28000000000000003 109.334 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -53.19 -48.66 67.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 2.52 109.364 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.521 ' CD ' HH12 ' C' ' 19' ' ' ARG . 83.7 tt0 -60.08 -47.52 85.53 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.13 -0.981 . . . . 1.75 109.194 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -46.31 89.82 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.145 -0.972 . . . . 0.31 108.978 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -60.05 -49.83 76.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.433 -0.792 . . . . 1.21 109.551 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -39.76 87.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.351 -0.843 . . . . 1.6899999999999999 109.914 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.561 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.49 -47.14 85.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.27000000000000002 109.352 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.606 HD22 ' NH1' ' D' ' 19' ' ' ARG . 88.6 mt -61.61 -41.75 97.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.29999999999999999 109.238 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.25 -41.3 92.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.436 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.27 -49.88 75.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.40000000000000002 109.485 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.33 -40.12 95.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 1.5900000000000001 109.353 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.99 87.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.261 -0.9 . . . . 1.4299999999999999 109.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.01 94.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 0.65000000000000002 109.349 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.97 -40.02 65.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.967 . . . . 1.1899999999999999 109.473 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.91 59.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.389 -0.819 . . . . 1.22 109.58 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.07 8.96 7.37 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.139 -1.185 . . . . 1.53 110.139 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -86.54 111.98 21.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.95 -1.323 . . . . 4.21 109.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' B' ' 42' ' ' GLY . 55.3 mm-40 -60.12 150.06 72.3 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.43 -0.794 . . . . 5.6799999999999997 108.978 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -59.81 3.43 0.22 Allowed 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 120.854 1.036 . . . . 5.5700000000000003 110.016 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' B' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 118.023 -1.432 . . . . 7.2000000000000002 109.635 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.565 ' O ' ' N ' ' C' ' 3' ' ' LYS . 47.4 mtmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.406 -0.59 . . . . 8.9600000000000009 109.406 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' C' ' 3' ' ' LYS . 63.0 tttm 63.01 -49.9 0.2 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 122.188 -0.32 . . . . 8.1500000000000004 110.195 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.565 ' N ' ' O ' ' C' ' 1' ' ' LYS . 23.8 mtmt 59.81 149.69 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.227 -0.92 . . . . 7.1500000000000004 109.297 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.93 -84.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.795 0 N-CA-C 109.349 -1.058 . . . . 4.3499999999999996 109.349 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.82 122.03 28.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.131 -0.98 . . . . 4.6299999999999999 109.267 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -81.76 127.9 33.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 2.8500000000000001 109.191 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' GLY . . . . . 0.497 ' O ' ' CE1' ' C' ' 9' ' ' TYR . . . -70.55 140.34 31.8 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.89 -1.684 . . . . 1.1200000000000001 108.89 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.0 134.22 56.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.276 . . . . 2.1099999999999999 109.255 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' C' ' 7' ' ' GLY . 96.0 m-85 -109.43 142.32 40.58 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.563 -0.71 . . . . 0.64000000000000001 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -133.58 140.69 47.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.304 -0.873 . . . . 0.48999999999999999 109.584 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -88.38 155.7 19.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.406 -0.809 . . . . 0.46999999999999997 109.163 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.77 130.69 17.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.073 -1.017 . . . . 0.41999999999999998 109.446 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -86.49 127.72 34.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 1.8100000000000001 109.132 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 120.0 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.323 -0.861 . . . . 0.41999999999999998 109.539 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -77.05 144.73 38.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.484 -0.76 . . . . 2.3500000000000001 109.792 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.61 112.31 2.01 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.351 -1.1 . . . . 0.40999999999999998 110.351 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -59.98 -49.64 76.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -1.081 . . . . 2.5899999999999999 109.283 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -59.97 -39.92 87.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.235 -0.916 . . . . 2.54 108.767 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.635 ' NH1' HD22 ' A' ' 30' ' ' LEU . 10.2 tpp180 -60.08 -39.16 85.1 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.605 -0.684 . . . . 3.3900000000000001 109.433 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.39 -42.64 82.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.228 -0.92 . . . . 0.46999999999999997 109.672 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.761 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 39.4 ttp -59.98 -50.69 72.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.63 -0.669 . . . . 0.60999999999999999 109.838 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -63.47 -39.94 95.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.898 . . . . 0.33000000000000002 109.374 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -53.23 -48.72 67.96 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 3.2799999999999998 109.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' B' ' 19' ' ' ARG . 83.4 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.092 -1.005 . . . . 1.78 109.322 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -45.97 90.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.1 -1.0 . . . . 0.38 108.992 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -60.06 -49.94 75.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.2 109.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -39.36 85.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.955 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.605 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.76 -46.93 86.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.044 -1.035 . . . . 0.26000000000000001 109.408 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.614 HD22 ' NH1' ' A' ' 19' ' ' ARG . 87.6 mt -61.87 -41.74 98.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 0.40000000000000002 109.089 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.16 -41.77 93.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.386 -0.821 . . . . 2.0899999999999999 109.484 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' LEU . . . . . 0.57 HD11 HE22 ' D' ' 36' ' ' GLN . 61.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.284 -0.885 . . . . 0.75 109.434 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.9 -40.35 96.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.325 -0.859 . . . . 2.1899999999999999 109.563 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.05 -39.93 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.361 -0.837 . . . . 1.3400000000000001 109.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.94 94.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.323 -0.86 . . . . 0.71999999999999997 109.368 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -72.83 -40.06 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 1.8 109.326 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.41 -9.81 58.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.851 . . . . 1.3899999999999999 109.666 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.35 9.52 7.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.128 -1.189 . . . . 1.6599999999999999 110.128 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.13 111.94 21.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.057 -1.26 . . . . 4.4500000000000002 109.363 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' C' ' 42' ' ' GLY . 50.7 mm-40 -60.01 150.38 70.1 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.365 -0.834 . . . . 6.1900000000000004 108.982 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.15 3.86 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 120.847 1.031 . . . . 5.5800000000000001 110.008 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 118.047 -1.418 . . . . 6.9000000000000004 109.622 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' D' ' 3' ' ' LYS . 47.7 mtmt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.298 -0.63 . . . . 7.3600000000000003 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' D' ' 3' ' ' LYS . 63.0 tttm 62.65 -49.67 0.18 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 122.065 -0.397 . . . . 7.1500000000000004 110.283 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 1' ' ' LYS . 24.0 mtmt 59.78 149.54 0.08 OUTLIER Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.302 -0.874 . . . . 6.5 109.374 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -84.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 N-CA-C 109.185 -1.121 . . . . 4.5 109.185 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -84.55 122.12 28.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 4.3200000000000003 109.423 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -81.93 128.03 33.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 2.46 109.457 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' GLY . . . . . 0.5 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -70.32 140.06 31.7 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.989 -1.644 . . . . 0.96999999999999997 108.989 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 134.37 56.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.986 -1.302 . . . . 1.6699999999999999 109.281 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 96.0 m-85 -109.36 142.88 39.67 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.524 -0.735 . . . . 0.60999999999999999 109.161 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.22 140.23 46.34 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.332 -0.855 . . . . 0.56000000000000005 109.584 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -88.1 155.53 19.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.335 -0.853 . . . . 0.42999999999999999 109.156 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -147.01 130.01 16.33 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.003 -1.061 . . . . 0.34999999999999998 109.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -86.04 128.24 34.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.3700000000000001 109.081 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.98 120.0 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.435 -0.79 . . . . 0.47999999999999998 109.622 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -77.05 145.2 38.08 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.817 . . . . 2.0800000000000001 109.958 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 112.66 1.89 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.582 -1.007 . . . . 0.40000000000000002 110.582 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -60.09 -49.42 77.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.249 -1.148 . . . . 2.6400000000000001 109.387 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.01 -39.86 87.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 2.2200000000000002 108.705 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.606 ' NH1' HD22 ' B' ' 30' ' ' LEU . 10.4 tpp180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.466 -0.771 . . . . 2.7400000000000002 109.47 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.81 -42.91 80.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.933 . . . . 0.42999999999999999 109.61 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.55 85.94 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 108.749 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 39.7 ttp -60.0 -50.51 73.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.42999999999999999 109.819 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.35 -40.0 96.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.27000000000000002 109.311 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -53.15 -48.67 67.76 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 2.4500000000000002 109.297 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' A' ' 19' ' ' ARG . 83.6 tt0 -60.06 -47.3 86.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.096 -1.002 . . . . 1.75 109.287 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.37 -46.2 89.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.178 -0.951 . . . . 0.31 109.104 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.445 -0.785 . . . . 1.22 109.69 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.461 -0.775 . . . . 1.73 109.749 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.605 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.03 -47.21 83.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 0.28000000000000003 109.423 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.642 HD22 ' NH1' ' B' ' 19' ' ' ARG . 87.8 mt -61.58 -42.24 98.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.31 109.131 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -41.43 92.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.322 -0.861 . . . . 1.9099999999999999 109.213 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.01 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.376 -0.827 . . . . 0.42999999999999999 109.476 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.42 -40.01 94.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 1.5700000000000001 109.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.417 -0.802 . . . . 1.4399999999999999 109.351 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.11 95.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.342 -0.849 . . . . 0.64000000000000001 109.397 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' GLN . . . . . 0.57 HE22 HD11 ' C' ' 32' ' ' LEU . 89.5 mt-30 -72.73 -40.02 66.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 1.21 109.355 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.78 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.403 -0.811 . . . . 1.22 109.627 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.03 9.23 6.94 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 110.138 -1.185 . . . . 1.5 110.138 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -86.95 112.07 21.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.059 -1.26 . . . . 4.1799999999999997 109.472 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' D' ' 42' ' ' GLY . 53.3 mm-40 -59.96 149.6 73.03 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 5.6699999999999999 109.216 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.38 3.73 0.17 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 120.893 1.062 . . . . 5.6500000000000004 110.005 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' D' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.565 -1.414 . . . . 7.2699999999999996 109.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.297 0.57 . . . . 7.3300000000000001 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 3' ' ' LYS . 92.7 mttt 47.44 -168.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 7.21 109.669 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 2' ' ' LYS . 53.9 mttt 60.14 149.66 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.528 -0.733 . . . . 6.4699999999999998 109.118 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 3' ' ' LYS . 6.3 Cg_exo -54.36 -163.8 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.71 0 C-N-CA 120.924 1.083 . . . . 4.5300000000000002 110.136 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -77.43 134.56 38.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.051 -1.031 . . . . 4.3499999999999996 109.37 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -79.01 163.9 24.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 2.48 109.924 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 151.85 52.53 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.357 -1.497 . . . . 0.97999999999999998 109.357 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.96 139.5 57.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.378 -1.072 . . . . 1.7 109.639 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.434 ' CB ' HE21 ' C' ' 13' ' ' GLN . 96.5 m-85 -102.56 148.34 25.66 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.456 -0.778 . . . . 0.60999999999999999 109.124 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.63 134.26 44.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.376 -0.827 . . . . 0.57999999999999996 109.698 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -87.97 156.89 19.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.41999999999999998 108.967 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -146.43 129.22 16.24 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 0.35999999999999999 108.962 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -85.04 127.09 34.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.244 -0.91 . . . . 1.3700000000000001 108.802 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.06 120.08 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.516 -0.74 . . . . 0.46999999999999997 110.05 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.5 148.97 38.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.508 -0.745 . . . . 2.1000000000000001 109.949 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 125.29 0.73 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.379 -1.089 . . . . 0.41999999999999998 110.379 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.06 -40.71 78.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -1.129 . . . . 2.6800000000000002 109.409 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -44.03 95.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 2.2200000000000002 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.34 -39.98 89.06 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 2.77 109.065 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -47.4 84.71 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.428 -0.795 . . . . 0.42999999999999999 109.198 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.82 -39.96 86.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.091 -1.005 . . . . 1.6599999999999999 108.536 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 54.9 ttp -62.62 -50.81 69.78 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.402 -0.811 . . . . 0.44 109.704 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.67 -40.96 98.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.202 -0.936 . . . . 0.28999999999999998 109.038 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.74 -41.07 90.12 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.626 -0.879 . . . . 2.4399999999999999 108.626 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.9 75.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.426 -0.796 . . . . 1.74 109.011 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.52 -42.51 99.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.255 -0.903 . . . . 0.29999999999999999 108.893 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.04 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 1.22 109.449 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.93 -39.96 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.286 -0.884 . . . . 1.72 109.774 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.69 -44.77 93.53 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.241 -0.912 . . . . 0.27000000000000002 109.007 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.08 -40.82 98.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.145 -0.972 . . . . 0.28999999999999998 109.033 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -47.44 85.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 1.9099999999999999 108.982 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.05 -49.7 76.64 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.476 -0.935 . . . . 0.40999999999999998 108.476 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -60.09 -41.79 93.25 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.096 -0.705 . . . . 1.5600000000000001 109.096 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.19 -40.04 88.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.746 . . . . 1.4299999999999999 110.314 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.96 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.127 -0.983 . . . . 0.66000000000000003 109.94 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -71.45 -39.96 70.64 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.168 -0.957 . . . . 1.1799999999999999 109.102 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -7.0 48.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.379 -0.826 . . . . 1.23 109.485 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.76 -3.9 87.66 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.864 -1.294 . . . . 1.54 109.864 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -85.77 128.1 34.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.151 -1.205 . . . . 4.1799999999999997 109.269 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -50.52 -54.19 37.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 5.71 110.378 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 40' ' ' GLU . 2.3 Cg_endo -59.99 144.08 99.51 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 N-CA-C 109.772 -0.895 . . . . 5.6100000000000003 109.772 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 118.023 -1.432 . . . . 7.2400000000000002 109.684 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.31 -0.626 . . . . 7.3399999999999999 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 3' ' ' LYS . 92.7 mttt 47.43 -168.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.174 -0.954 . . . . 7.1699999999999999 109.825 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 2' ' ' LYS . 52.9 mttt 59.81 149.93 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 6.4400000000000004 108.997 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' B' ' 3' ' ' LYS . 5.7 Cg_exo -54.59 -163.18 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 120.949 1.099 . . . . 4.54 110.128 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.53 134.22 38.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.127 -0.983 . . . . 4.3200000000000003 109.319 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.23 161.61 26.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 2.4700000000000002 109.839 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.33 151.67 50.08 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.621 -1.391 . . . . 0.94999999999999996 109.621 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.09 139.8 57.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -1.114 . . . . 1.6100000000000001 109.564 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.23 148.59 25.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.56999999999999995 109.079 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.8 134.56 44.84 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.325 -0.86 . . . . 0.53000000000000003 109.689 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.1 157.6 18.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.38 108.872 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -146.65 130.04 16.74 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.994 . . . . 0.35999999999999999 108.821 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.434 HE21 ' CB ' ' D' ' 9' ' ' TYR . 59.2 tt0 -85.95 126.88 34.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 108.879 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.01 120.04 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.373 -0.829 . . . . 0.48999999999999999 110.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.53 148.73 38.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.527 -0.733 . . . . 2.1000000000000001 109.987 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 125.3 0.76 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.175 -1.17 . . . . 0.44 110.175 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.29 -40.65 77.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -1.105 . . . . 2.7200000000000002 109.409 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.23 -44.24 95.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 2.21 109.245 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -60.17 -39.98 88.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.41 -0.806 . . . . 2.79 109.075 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.45000000000000001 109.243 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.97 -40.17 88.15 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.982 -1.074 . . . . 1.6799999999999999 108.628 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 57.3 ttp -62.58 -50.07 72.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.354 -0.842 . . . . 0.42999999999999999 109.861 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.4 -40.99 98.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.28000000000000003 108.908 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -59.85 -40.98 90.42 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.606 -0.886 . . . . 2.52 108.606 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -49.58 77.1 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.406 -0.808 . . . . 1.75 108.964 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.86 -42.49 99.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.982 . . . . 0.31 108.849 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.96 -50.05 75.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.35 -0.844 . . . . 1.21 109.57 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.71 -40.01 93.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.679 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.92 -44.79 94.09 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.261 -0.899 . . . . 0.27000000000000002 109.121 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.1 -40.71 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.29999999999999999 108.937 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -47.13 87.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 1.9299999999999999 108.873 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.04 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.435 -0.95 . . . . 0.40000000000000002 108.435 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -60.08 -41.5 92.58 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.07 -0.715 . . . . 1.5900000000000001 109.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.12 -39.9 87.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 110.261 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.99 94.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.65000000000000002 109.863 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.59 -40.05 73.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.107 -0.996 . . . . 1.1899999999999999 109.209 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.68 -7.6 51.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.37 -0.831 . . . . 1.22 109.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.11 -4.64 86.51 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.917 -1.273 . . . . 1.53 109.917 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -85.3 127.92 34.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.155 -1.203 . . . . 4.21 109.438 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.448 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 0.8 OUTLIER -50.76 -53.97 41.34 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 5.6799999999999997 110.495 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' B' ' 40' ' ' GLU . 2.6 Cg_endo -59.73 145.35 98.4 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 N-CA-C 109.787 -0.89 . . . . 5.5700000000000003 109.787 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.965 -1.464 . . . . 7.2000000000000002 109.525 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.498 -0.556 . . . . 8.9600000000000009 109.498 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 3' ' ' LYS . 92.7 mttt 47.83 -169.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 8.1500000000000004 109.634 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 2' ' ' LYS . 53.7 mttt 60.44 149.75 0.09 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.953 -0.758 . . . . 7.1500000000000004 108.953 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' C' ' 3' ' ' LYS . 6.1 Cg_exo -54.41 -164.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 120.977 1.118 . . . . 4.3499999999999996 110.194 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -77.15 134.25 38.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.166 -0.959 . . . . 4.6299999999999999 109.358 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -78.97 162.98 25.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.444 -0.785 . . . . 2.8500000000000001 109.841 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.22 151.9 52.09 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.443 -1.463 . . . . 1.1200000000000001 109.443 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.01 138.8 57.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -1.085 . . . . 2.1099999999999999 109.875 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.01 148.24 25.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.495 -0.753 . . . . 0.64000000000000001 109.324 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.43 134.23 44.84 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.454 -0.779 . . . . 0.48999999999999999 109.671 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.02 157.34 18.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.792 . . . . 0.46999999999999997 108.942 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -146.59 129.42 16.25 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.017 . . . . 0.41999999999999998 109.002 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLN . . . . . 0.434 HE21 ' CB ' ' A' ' 9' ' ' TYR . 59.3 tt0 -85.15 126.82 33.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -0.823 . . . . 1.8100000000000001 108.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.08 120.4 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 110.112 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.55 149.6 38.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.487 -0.758 . . . . 2.3500000000000001 109.962 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.61 124.14 0.57 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.495 -1.042 . . . . 0.40999999999999998 110.495 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.76 -41.27 83.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -1.077 . . . . 2.5899999999999999 109.504 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.2 -43.7 95.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.091 -1.006 . . . . 2.54 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.5 -39.89 89.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.294 -0.879 . . . . 3.3900000000000001 109.081 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.05 -47.07 86.56 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.368 -0.832 . . . . 0.46999999999999997 109.28 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.91 -39.95 87.15 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.043 -1.035 . . . . 1.6599999999999999 108.508 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 57.2 ttp -62.84 -50.23 71.78 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.393 -0.817 . . . . 0.60999999999999999 109.797 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.05 -41.13 99.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.33000000000000002 108.924 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.67 -40.93 89.39 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.681 -0.859 . . . . 3.2799999999999998 108.681 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.85 76.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.404 -0.81 . . . . 1.78 108.936 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.67 -42.28 99.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.152 -0.967 . . . . 0.38 108.966 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.08 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.421 -0.799 . . . . 1.2 109.652 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.01 -39.94 93.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.741 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.66 94.11 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.278 -0.889 . . . . 0.26000000000000001 109.034 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.39 -40.61 97.69 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.147 -0.971 . . . . 0.40000000000000002 109.004 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.03 -47.13 87.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 2.0899999999999999 108.982 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' LEU . . . . . 0.557 HD11 HE22 ' D' ' 36' ' ' GLN . 64.8 tp -60.14 -49.86 75.97 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.344 -0.984 . . . . 0.75 108.344 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -60.0 -41.35 91.89 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.014 -0.735 . . . . 2.1899999999999999 109.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.32 -40.08 89.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.476 -0.765 . . . . 1.3400000000000001 110.216 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.95 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.143 -0.973 . . . . 0.71999999999999997 109.923 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' GLN . . . . . 0.609 HE22 HD11 ' D' ' 32' ' ' LEU . 93.7 mt-30 -70.94 -40.04 72.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.024 -1.047 . . . . 1.8 109.316 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.53 -7.35 49.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.332 -0.855 . . . . 1.3899999999999999 109.542 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.85 -3.45 87.66 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.83 -1.308 . . . . 1.6599999999999999 109.83 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -86.02 127.48 34.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.159 -1.201 . . . . 4.4500000000000002 109.229 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' C' ' 41' ' ' PRO . 0.8 OUTLIER -50.28 -53.99 38.84 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 6.1900000000000004 110.434 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 41' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' C' ' 40' ' ' GLU . 2.1 Cg_endo -60.32 143.31 99.49 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 N-CA-C 109.742 -0.907 . . . . 5.5800000000000001 109.742 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 CA-C-O 118.058 -1.412 . . . . 6.9000000000000004 109.574 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.443 -0.576 . . . . 7.3600000000000003 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' D' ' 3' ' ' LYS . 93.2 mttt 47.5 -168.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 7.1500000000000004 109.645 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' D' ' 2' ' ' LYS . 54.3 mttt 59.81 149.7 0.08 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.542 -0.724 . . . . 6.5 109.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' D' ' 3' ' ' LYS . 6.3 Cg_exo -54.26 -163.08 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.706 0 C-N-CA 121.013 1.142 . . . . 4.5 110.201 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 92.2 mt -77.99 134.42 37.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.13 -0.981 . . . . 4.3200000000000003 109.265 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.1 163.31 25.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.369 -0.832 . . . . 2.46 109.866 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.23 151.76 52.1 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.469 -1.452 . . . . 0.96999999999999997 109.469 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.02 140.09 57.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -1.083 . . . . 1.6699999999999999 109.507 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.434 ' CB ' HE21 ' B' ' 13' ' ' GLN . 96.4 m-85 -103.42 148.53 25.79 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.388 -0.82 . . . . 0.60999999999999999 109.174 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -132.63 134.75 45.27 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 109.758 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.26 157.1 18.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 108.916 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -146.34 129.6 16.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.103 -0.998 . . . . 0.34999999999999998 108.926 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -85.41 127.18 34.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.9 . . . . 1.3700000000000001 108.806 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.01 120.34 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.421 -0.799 . . . . 0.47999999999999998 110.214 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.76 148.85 38.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.427 -0.796 . . . . 2.0800000000000001 110.054 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.12 125.4 0.69 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.373 -1.091 . . . . 0.40000000000000002 110.373 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' D' ' 21' ' ' GLU . 4.7 tmt_? -68.72 -40.72 79.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -1.047 . . . . 2.6400000000000001 109.475 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.43 -43.7 96.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.123 -0.986 . . . . 2.2200000000000002 109.469 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.44 -39.94 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 2.7400000000000002 109.033 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.82 -47.22 85.56 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.351 -0.843 . . . . 0.42999999999999999 109.27 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' D' ' 17' ' ' ARG . 47.4 mt-10 -59.94 -40.12 87.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.127 -0.983 . . . . 1.6899999999999999 108.519 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 56.4 ttp -62.54 -50.33 71.76 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.392 -0.817 . . . . 0.42999999999999999 109.675 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.25 -40.84 98.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.27000000000000002 108.95 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.88 -40.97 90.52 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.614 -0.884 . . . . 2.4500000000000002 108.614 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -49.82 76.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.438 -0.789 . . . . 1.75 109.0 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -42.7 99.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.31 108.907 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.05 -49.74 76.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 1.22 109.746 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.93 93.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.73 109.746 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.43 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.213 -0.93 . . . . 0.28000000000000003 109.053 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -40.54 97.27 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.31 108.938 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 1.9099999999999999 109.037 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.609 HD11 HE22 ' C' ' 36' ' ' GLN . 64.4 tp -59.93 -49.93 75.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.426 -0.953 . . . . 0.42999999999999999 108.426 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -60.06 -40.91 91.13 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.214 -0.662 . . . . 1.5700000000000001 109.214 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.66 -40.0 90.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 110.236 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.63 95.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.336 -0.852 . . . . 0.64000000000000001 109.858 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' GLN . . . . . 0.557 HE22 HD11 ' C' ' 32' ' ' LEU . 93.7 mt-30 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.072 -1.018 . . . . 1.21 109.16 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.99 48.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 1.22 109.572 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.92 -3.97 88.21 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.951 -1.26 . . . . 1.5 109.951 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.77 127.79 34.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.119 -1.224 . . . . 4.1799999999999997 109.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' D' ' 41' ' ' PRO . 0.8 OUTLIER -50.91 -52.79 54.32 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.193 -0.942 . . . . 5.6699999999999999 110.753 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' D' ' 40' ' ' GLU . 2.1 Cg_endo -61.13 144.34 99.12 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 120.683 0.922 . . . . 5.6500000000000004 109.86 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 118.021 -1.433 . . . . 7.2699999999999996 109.718 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.443 -0.577 . . . . 7.3300000000000001 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 50.36 69.96 0.56 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 7.21 109.116 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 5' ' ' LEU . 38.1 mtpt 52.37 68.7 2.89 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 6.4699999999999998 109.685 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.94 29.96 0.12 Allowed 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.68 1.587 . . . . 4.5300000000000002 110.496 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 3' ' ' LYS . 3.5 mm? -80.32 59.13 3.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.828 -1.17 . . . . 4.3499999999999996 108.986 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -77.38 169.84 17.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.1 -1.0 . . . . 2.48 108.774 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.54 148.95 51.35 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.142 -1.583 . . . . 0.97999999999999998 109.142 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 139.94 57.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -1.096 . . . . 1.7 109.643 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.35 145.56 28.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.505 -0.747 . . . . 0.60999999999999999 109.466 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -135.22 138.99 44.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.197 -0.94 . . . . 0.57999999999999996 109.342 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -90.46 155.77 18.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.422 -0.799 . . . . 0.41999999999999998 109.004 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -145.85 128.33 16.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.022 . . . . 0.35999999999999999 109.039 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.53 126.62 33.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 1.3700000000000001 109.215 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.78 121.79 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.639 -0.663 . . . . 0.46999999999999997 109.345 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -77.22 144.62 38.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.569 -0.707 . . . . 2.1000000000000001 110.075 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.73 125.28 0.93 Allowed Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.263 -0.898 . . . . 0.41999999999999998 111.078 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -65.72 -41.67 91.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -1.09 . . . . 2.6800000000000002 109.236 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.13 -42.96 95.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.753 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 39.1 ttm180 -61.07 -41.95 97.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.407 -0.808 . . . . 2.77 109.051 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.19 -49.26 78.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.42999999999999999 109.143 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.5 -39.35 76.28 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.515 -0.92 . . . . 1.6599999999999999 108.515 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -60.09 -52.15 66.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.344 -0.847 . . . . 0.44 110.475 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -67.2 -39.7 86.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.999 -1.063 . . . . 0.28999999999999998 109.837 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.89 -43.53 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 2.4399999999999999 108.906 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.671 -0.863 . . . . 1.74 108.671 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.52 -42.93 98.43 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.323 -0.861 . . . . 0.29999999999999999 109.261 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -60.48 -49.68 76.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 1.22 109.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 1.72 109.194 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.99 -48.06 82.95 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.34 -0.85 . . . . 0.27000000000000002 109.351 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.0 -42.92 99.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.115 -0.991 . . . . 0.28999999999999998 109.333 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.13 -40.04 92.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.9099999999999999 109.582 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD22 HD22 ' B' ' 32' ' ' LEU . 3.8 tt -60.13 -51.79 68.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.40999999999999998 109.031 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.67 -40.47 95.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.315 -0.866 . . . . 1.5600000000000001 109.18 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.93 -40.12 87.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 1.4299999999999999 110.114 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.18 88.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.031 -1.043 . . . . 0.66000000000000003 110.113 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -71.9 -34.08 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.108 -0.995 . . . . 1.1799999999999999 110.001 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -66.3 -38.68 88.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.071 -1.018 . . . . 1.23 109.201 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.01 41.63 0.89 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.513 -1.435 . . . . 1.54 109.513 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 37' ' ' ALA . 64.1 tttm -81.94 133.06 35.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.164 -1.197 . . . . 4.1799999999999997 109.362 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -58.52 149.38 61.52 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 5.71 108.872 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -54.57 138.64 75.24 Favored 'Trans proline' 0 C--N 1.322 -0.851 0 C-N-CA 121.03 1.153 . . . . 5.6100000000000003 109.866 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 CA-C-O 117.938 -1.479 . . . . 7.2400000000000002 109.468 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.389 0.614 . . . . 7.3399999999999999 109.456 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tttm 52.12 69.9 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 7.1699999999999999 109.264 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' B' ' 5' ' ' LEU . 48.6 mtpt 53.37 66.16 4.95 Favored Pre-proline 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 6.4400000000000004 109.507 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -67.5 34.0 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.697 1.598 . . . . 4.54 109.938 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' B' ' 3' ' ' LYS . 3.9 mm? -83.02 60.9 5.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.003 -1.06 . . . . 4.3200000000000003 108.677 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -79.03 164.53 24.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.93 . . . . 2.4700000000000002 109.97 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.94 148.63 39.28 Favored Glycine 0 N--CA 1.487 2.038 0 N-CA-C 108.689 -1.764 . . . . 0.94999999999999996 108.689 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.69 139.91 57.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.238 -1.154 . . . . 1.6100000000000001 109.57 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -100.39 143.62 30.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.432 -0.793 . . . . 0.56999999999999995 109.442 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -132.61 139.26 47.69 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.238 -0.914 . . . . 0.53000000000000003 109.494 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 65.8 p -90.79 156.69 17.86 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.842 -0.799 . . . . 0.38 108.842 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -147.63 127.54 13.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.022 . . . . 0.35999999999999999 108.817 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -83.7 128.64 34.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.246 -0.909 . . . . 1.3600000000000001 109.086 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -121.47 120.82 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.659 -0.65 . . . . 0.48999999999999999 109.933 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -75.56 143.59 42.33 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.519 -0.738 . . . . 2.1000000000000001 110.133 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.24 125.44 0.86 Allowed Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.462 -0.875 . . . . 0.44 111.457 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -64.73 -41.42 95.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.575 -0.956 . . . . 2.7200000000000002 109.511 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.1 -42.91 95.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 2.21 108.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.549 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 38.8 ttm180 -61.35 -43.04 99.55 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.57 -0.9 . . . . 2.79 108.57 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.19 -48.7 80.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.52 -0.738 . . . . 0.45000000000000001 109.084 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.66 -39.87 81.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 1.6799999999999999 109.163 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.1 ttp -60.81 -51.82 67.71 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.42999999999999999 110.428 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.06 -39.81 90.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.28000000000000003 109.598 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -56.12 -42.43 76.87 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.51 -0.876 . . . . 2.52 108.692 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.05 -47.62 85.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.972 . . . . 1.75 108.979 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.85 -42.09 90.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 0.31 109.521 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.363 -0.836 . . . . 1.21 109.723 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.54 -37.26 85.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.605 -0.684 . . . . 1.6899999999999999 109.324 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.48 -47.75 84.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.27000000000000002 109.12 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.8 -41.87 98.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 0.29999999999999999 109.342 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.66 -40.32 94.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 1.9299999999999999 109.012 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.673 HD22 HD22 ' A' ' 32' ' ' LEU . 3.4 tt -60.5 -52.43 65.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.779 -0.823 . . . . 0.40000000000000002 108.779 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -61.14 -40.76 95.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 1.5900000000000001 109.224 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.466 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.1 m-20 -60.55 -39.6 88.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.525 -0.735 . . . . 1.4299999999999999 110.068 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.4 94.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.079 -1.013 . . . . 0.65000000000000002 110.058 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -70.5 -32.77 70.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.766 -1.209 . . . . 1.1899999999999999 109.817 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -67.17 -39.7 86.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.22 109.086 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.16 44.53 0.71 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.5 -1.44 . . . . 1.53 109.5 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' B' ' 37' ' ' ALA . 63.2 tttm -84.0 131.11 34.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.13 -1.218 . . . . 4.21 109.08 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.54 148.41 74.27 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.374 -0.829 . . . . 5.6799999999999997 109.499 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -53.03 136.24 60.59 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.114 1.209 . . . . 5.5700000000000003 110.044 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.462 0 N-CA-C 109.391 -1.484 . . . . 7.2000000000000002 109.391 179.711 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.154 -0.684 . . . . 8.9600000000000009 109.154 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 47.9 69.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.02 -1.05 . . . . 8.1500000000000004 109.654 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' C' ' 5' ' ' LEU . 47.8 mtpt 51.79 67.0 4.51 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 7.1500000000000004 109.737 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -66.26 33.09 0.12 Allowed 'Trans proline' 0 C--N 1.321 -0.899 0 C-N-CA 121.717 1.611 . . . . 4.3499999999999996 110.392 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' C' ' 3' ' ' LYS . 3.8 mm? -82.58 61.01 5.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 4.6299999999999999 108.609 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.7 168.0 19.91 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.48 -0.762 . . . . 2.8500000000000001 108.947 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.06 150.48 46.22 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.073 -1.611 . . . . 1.1200000000000001 109.073 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.99 139.79 57.97 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.21 -1.17 . . . . 2.1099999999999999 109.523 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.5 140.62 35.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.372 -0.83 . . . . 0.64000000000000001 109.566 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.63 139.85 51.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.332 -0.855 . . . . 0.48999999999999999 109.508 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -90.91 156.75 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.694 -0.854 . . . . 0.46999999999999997 108.694 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.05 127.97 14.48 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.061 -1.025 . . . . 0.41999999999999998 108.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -84.26 127.1 33.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.42 -0.8 . . . . 1.8100000000000001 109.284 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.2 122.24 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.343 -0.848 . . . . 0.41999999999999998 109.774 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -78.04 142.78 37.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.496 -0.753 . . . . 2.3500000000000001 110.543 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 124.22 1.19 Allowed Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.858 -0.897 . . . . 0.40999999999999998 110.858 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -64.09 -42.12 97.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -1.078 . . . . 2.5899999999999999 109.674 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.82 -42.4 93.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.045 -1.034 . . . . 2.54 108.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.496 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.674 -0.861 . . . . 3.3900000000000001 108.674 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.81 -48.42 81.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.483 -0.761 . . . . 0.46999999999999997 109.545 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.55 -39.21 83.23 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.191 -0.943 . . . . 1.6599999999999999 109.158 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 49.6 ttp -60.6 -53.38 58.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 0.60999999999999999 110.416 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.94 -39.17 93.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.951 -1.093 . . . . 0.33000000000000002 109.565 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -56.49 -43.07 79.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 108.823 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.18 -46.99 87.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.68 -0.859 . . . . 1.78 108.68 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.67 -43.76 88.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.451 -0.781 . . . . 0.38 109.374 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -60.14 -48.63 80.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 1.2 109.888 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.6 -39.88 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.397 -0.814 . . . . 2.1200000000000001 109.798 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.01 -45.94 91.1 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.457 -0.777 . . . . 0.26000000000000001 109.402 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.4 -41.36 98.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.40000000000000002 108.779 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.345 -0.847 . . . . 2.0899999999999999 108.798 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' LEU . . . . . 0.513 HD23 ' O ' ' C' ' 32' ' ' LEU . 3.4 tt -60.51 -52.16 66.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.452 -0.78 . . . . 0.75 109.379 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.406 ' HZ3' HD12 ' D' ' 32' ' ' LEU . 18.9 ttmm -61.12 -41.37 96.58 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.123 -0.985 . . . . 2.1899999999999999 109.225 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.557 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.6 m-20 -60.68 -39.6 89.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.594 -0.691 . . . . 1.3400000000000001 110.386 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.0 95.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.131 -0.981 . . . . 0.71999999999999997 110.038 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -70.69 -34.77 72.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.995 -1.065 . . . . 1.8 109.343 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -64.72 -38.55 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 1.3899999999999999 109.041 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.49 42.65 0.85 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.529 -1.428 . . . . 1.6599999999999999 109.529 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' C' ' 37' ' ' ALA . 64.3 tttm -83.41 131.34 35.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -1.185 . . . . 4.4500000000000002 109.72 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -56.7 148.96 44.24 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 6.1900000000000004 109.183 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -55.11 142.32 77.74 Favored 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 120.842 1.028 . . . . 5.5800000000000001 109.556 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.574 0 CA-C-O 117.954 -1.47 . . . . 6.9000000000000004 109.626 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.412 -0.588 . . . . 7.3600000000000003 109.412 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 tttm 49.95 71.42 0.4 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.246 -0.908 . . . . 7.1500000000000004 109.243 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' D' ' 5' ' ' LEU . 39.7 mtpt 51.43 65.46 6.5 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.296 -0.878 . . . . 6.5 109.802 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -65.41 30.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 121.695 1.596 . . . . 4.5 110.672 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' D' ' 3' ' ' LYS . 3.6 mm? -80.87 61.12 4.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.746 -1.221 . . . . 4.3200000000000003 109.168 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -77.84 169.96 17.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.46 109.34 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.44 151.18 50.62 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.768 -1.733 . . . . 0.96999999999999997 108.768 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.65 138.82 58.33 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.237 -1.154 . . . . 1.6699999999999999 109.813 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 140.82 33.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.423 -0.798 . . . . 0.60999999999999999 109.19 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.03 137.49 50.28 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.257 -0.902 . . . . 0.56000000000000005 109.388 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.12 153.71 20.75 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.698 -0.853 . . . . 0.42999999999999999 108.698 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -144.79 128.5 17.22 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.12 -0.988 . . . . 0.34999999999999998 108.703 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.15 128.33 34.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 1.3700000000000001 109.359 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -120.65 121.79 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.606 -0.684 . . . . 0.47999999999999998 109.662 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.78 144.11 39.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.0800000000000001 109.925 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 124.94 1.18 Allowed Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.196 -0.94 . . . . 0.40000000000000002 111.057 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -66.35 -40.8 90.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -1.158 . . . . 2.6400000000000001 108.921 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.26 -42.53 95.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.159 -0.963 . . . . 2.2200000000000002 108.707 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.466 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 39.2 ttm180 -61.92 -41.04 97.46 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.488 -0.758 . . . . 2.7400000000000002 109.211 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.12 -49.2 78.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.817 . . . . 0.42999999999999999 109.268 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.83 -39.18 77.05 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.446 -0.784 . . . . 1.6899999999999999 108.934 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 54.6 ttp -60.4 -52.8 63.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.326 -0.859 . . . . 0.42999999999999999 109.952 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.98 -39.88 90.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.123 -0.985 . . . . 0.27000000000000002 109.977 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.29 -42.29 77.28 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.084 -1.01 . . . . 2.4500000000000002 108.526 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.13 -48.9 79.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.316 -0.865 . . . . 1.75 109.031 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.38 -42.85 95.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.31 109.311 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.14 -50.23 74.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.232 -0.917 . . . . 1.22 109.882 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.45 -38.61 87.85 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.392 -0.818 . . . . 1.73 109.255 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.79 -45.94 90.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.907 . . . . 0.28000000000000003 109.74 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -40.86 98.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.045 -1.034 . . . . 0.31 109.088 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.85 -40.27 94.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 1.9099999999999999 109.343 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 32' ' ' LEU . 3.7 tt -59.99 -51.54 69.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.42999999999999999 108.913 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.42 -40.4 96.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 1.5700000000000001 109.477 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.549 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.7 m-20 -60.4 -39.84 88.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.311 -0.868 . . . . 1.4399999999999999 110.146 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.52 90.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.64000000000000001 109.89 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -72.4 -30.34 64.56 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.185 -0.947 . . . . 1.21 110.023 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -69.8 -41.56 74.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.934 -1.104 . . . . 1.22 109.393 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.0 42.81 0.49 Allowed Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.261 -1.535 . . . . 1.5 109.261 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' D' ' 37' ' ' ALA . 63.9 tttm -81.44 130.65 35.12 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.207 -1.172 . . . . 4.1799999999999997 109.095 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.58 147.71 59.32 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.376 -0.828 . . . . 5.6699999999999999 109.137 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -54.01 138.11 69.92 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.16 1.24 . . . . 5.6500000000000004 110.234 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.408 0 N-CA-C 109.529 -1.428 . . . . 7.2699999999999996 109.529 179.776 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 C--O 1.196 -1.724 0 CA-C-O 120.811 0.338 . . . . 7.3300000000000001 110.697 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 1' ' ' LYS . 91.4 mttt -166.63 108.36 0.69 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 105.874 -1.899 . . . . 7.21 105.874 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 5' ' ' LEU . 25.6 mmtp 53.82 68.47 2.8 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.795 -1.19 . . . . 6.4699999999999998 108.929 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.41 60.35 0.19 Allowed 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.674 1.582 . . . . 4.5300000000000002 109.913 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LYS . 87.4 mt -82.9 47.78 1.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.016 -1.053 . . . . 4.3499999999999996 109.418 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -78.94 -99.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 2.48 109.731 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' CE1' ' A' ' 9' ' ' TYR . . . -70.12 145.76 41.74 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.707 -1.357 . . . . 0.97999999999999998 109.707 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.08 139.73 57.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -1.141 . . . . 1.7 109.324 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 95.9 m-85 -109.96 142.05 41.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.494 -0.754 . . . . 0.60999999999999999 109.749 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.17 140.45 45.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.57999999999999996 109.528 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -89.63 155.09 19.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.282 -0.886 . . . . 0.41999999999999998 109.172 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.96 129.38 16.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.121 -0.987 . . . . 0.35999999999999999 109.285 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.08 127.94 34.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 1.3700000000000001 109.083 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.06 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 110.186 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -75.63 145.93 40.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.457 -0.777 . . . . 2.1000000000000001 109.701 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.96 0.98 Allowed Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.053 -1.219 . . . . 0.41999999999999998 110.053 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' A' ' 17' ' ' ARG . 29.6 ttt-85 -67.96 -42.33 81.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -1.122 . . . . 2.6800000000000002 109.111 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.2 -41.4 92.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 108.945 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 38.8 ttm180 -60.04 -40.11 88.27 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.505 -0.747 . . . . 2.77 109.195 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.91 -46.82 88.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.439 -0.788 . . . . 0.42999999999999999 109.615 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.93 -40.08 87.68 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.136 -0.977 . . . . 1.6599999999999999 109.659 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.15 -50.63 72.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.18 -0.95 . . . . 0.44 110.437 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -64.67 -39.98 94.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.007 . . . . 0.28999999999999998 109.521 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -54.37 -44.34 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.133 -0.979 . . . . 2.4399999999999999 108.668 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -48.11 83.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.062 -1.024 . . . . 1.74 108.513 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.02 -43.83 97.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.29999999999999999 109.186 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 1.22 109.221 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -39.91 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.431 -0.793 . . . . 1.72 109.537 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.7 -48.43 81.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.27000000000000002 109.73 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.93 -41.21 97.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.28999999999999998 109.6 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.97 -43.38 95.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.18 -0.95 . . . . 1.9099999999999999 109.613 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.99 -52.39 64.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.093 -1.004 . . . . 0.40999999999999998 109.236 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.5 -45.27 91.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.381 -0.824 . . . . 1.5600000000000001 109.77 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 66.1 m-20 -59.97 -40.11 87.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 1.4299999999999999 109.893 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.15 73.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.66000000000000003 109.329 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -70.19 -36.94 74.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.47 -0.769 . . . . 1.1799999999999999 109.664 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.83 92.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.889 . . . . 1.23 109.625 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.72 58.43 3.0 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.522 -1.431 . . . . 1.54 109.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.9 130.24 34.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.242 -1.152 . . . . 4.1799999999999997 109.596 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -57.85 148.97 56.43 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.227 -0.921 . . . . 5.71 108.79 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -54.7 146.15 56.35 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.84 1.027 . . . . 5.6100000000000003 109.762 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 CA-C-O 117.975 -1.458 . . . . 7.2400000000000002 109.561 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 2' ' ' LYS . 97.0 mttt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.084 -0.71 . . . . 7.3399999999999999 109.084 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' B' ' 1' ' ' LYS . 96.9 mttt 96.31 101.73 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.608 0.763 . . . . 7.1699999999999999 109.572 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' B' ' 5' ' ' LEU . 23.6 mmtp 51.76 68.87 2.84 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.639 -0.663 . . . . 6.4400000000000004 110.457 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.33 59.39 0.25 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.651 1.567 . . . . 4.54 109.6 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 3' ' ' LYS . 87.8 mt -82.25 47.62 1.16 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.957 -1.09 . . . . 4.3200000000000003 109.451 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -78.99 -97.19 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 2.4700000000000002 109.865 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.403 ' O ' ' CE1' ' B' ' 9' ' ' TYR . . . -72.05 145.3 37.78 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.562 -1.415 . . . . 0.94999999999999996 109.562 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.96 138.23 57.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -1.13 . . . . 1.6100000000000001 109.406 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' B' ' 7' ' ' GLY . 94.6 m-85 -108.55 141.94 39.71 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.457 -0.777 . . . . 0.56999999999999995 109.84 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -135.02 140.11 45.36 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.387 -0.82 . . . . 0.53000000000000003 109.456 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -89.09 155.28 19.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.38 109.173 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.21 129.68 16.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.087 -1.008 . . . . 0.35999999999999999 109.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.48 127.98 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 1.3600000000000001 109.12 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -119.96 120.02 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.481 -0.762 . . . . 0.48999999999999999 110.231 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -75.57 145.39 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.462 -0.774 . . . . 2.1000000000000001 109.903 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 122.21 0.95 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.134 -1.186 . . . . 0.44 110.134 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' B' ' 17' ' ' ARG . 30.5 ttt-85 -67.13 -42.04 85.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -1.177 . . . . 2.7200000000000002 109.389 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.31 -41.68 93.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.025 -1.047 . . . . 2.21 108.92 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 39.0 ttm180 -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.537 -0.727 . . . . 2.79 109.258 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.86 -47.03 87.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.512 -0.742 . . . . 0.45000000000000001 109.579 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -39.97 87.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.235 -0.916 . . . . 1.6799999999999999 109.554 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.07 -50.88 71.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.374 -0.829 . . . . 0.42999999999999999 110.272 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -64.36 -39.92 94.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.28000000000000003 109.593 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.61 -44.12 72.82 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.244 -0.91 . . . . 2.52 108.751 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -47.98 83.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 1.75 108.548 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.49 -43.8 96.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.31 109.093 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.03 -49.85 76.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.359 -0.838 . . . . 1.21 109.182 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -39.99 90.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.5 -0.75 . . . . 1.6899999999999999 109.52 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.67 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.7 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.55 -41.06 96.8 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.14 -0.975 . . . . 0.29999999999999999 109.582 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.01 -43.34 95.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.9299999999999999 109.511 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.16 -52.51 63.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.098 -1.001 . . . . 0.40000000000000002 109.218 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.4 -45.33 91.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.435 -0.791 . . . . 1.5900000000000001 109.832 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 64.7 m-20 -60.19 -40.16 89.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.897 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.99 73.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 0.65000000000000002 109.277 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -70.02 -37.58 75.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.308 -0.87 . . . . 1.1899999999999999 109.63 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.03 95.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.22 109.721 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.53 58.42 2.48 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.715 -1.354 . . . . 1.53 109.715 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -85.04 130.27 34.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -1.178 . . . . 4.21 109.606 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -58.04 149.04 58.15 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 5.6799999999999997 108.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -54.39 146.35 52.03 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 120.837 1.025 . . . . 5.5700000000000003 109.814 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.445 -1.462 . . . . 7.2000000000000002 109.445 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' C' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.222 -0.658 . . . . 8.9600000000000009 109.222 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' C' ' 1' ' ' LYS . 96.9 mttt 96.29 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 123.667 0.787 . . . . 8.1500000000000004 109.538 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' LEU . 23.5 mmtp 51.63 68.92 2.82 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.637 -0.664 . . . . 7.1500000000000004 110.568 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.31 59.19 0.25 Allowed 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.556 1.504 . . . . 4.3499999999999996 109.608 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' C' ' 3' ' ' LYS . 86.7 mt -82.08 47.32 1.1 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.959 -1.088 . . . . 4.6299999999999999 109.46 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -78.82 -98.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 2.8500000000000001 109.833 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' GLY . . . . . 0.424 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -70.51 145.35 40.4 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.658 -1.377 . . . . 1.1200000000000001 109.658 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.99 139.47 57.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.158 -1.201 . . . . 2.1099999999999999 109.213 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' TYR . . . . . 0.424 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 95.4 m-85 -109.94 142.17 41.67 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.504 -0.748 . . . . 0.64000000000000001 109.744 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.27 140.13 44.95 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.413 -0.804 . . . . 0.48999999999999999 109.567 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -89.19 155.0 19.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.46999999999999997 109.131 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.96 129.62 17.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.206 -0.934 . . . . 0.41999999999999998 109.192 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -85.24 128.08 34.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.884 . . . . 1.8100000000000001 109.079 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.06 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.487 -0.758 . . . . 0.41999999999999998 110.163 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.402 ' HE ' ' HA3' ' A' ' 7' ' ' GLY . 68.9 ttt180 -75.63 145.79 40.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 2.3500000000000001 109.62 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 122.68 0.96 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.052 -1.219 . . . . 0.40999999999999998 110.052 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' C' ' 17' ' ' ARG . 29.9 ttt-85 -68.05 -41.75 81.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -1.125 . . . . 2.5899999999999999 109.247 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.42 -41.71 94.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.037 -1.039 . . . . 2.54 108.873 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 3.3900000000000001 109.173 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.81 -46.7 88.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.46999999999999997 109.588 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.08 -40.03 88.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 109.556 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.1 -50.75 72.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.60999999999999999 110.444 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.54 -40.0 94.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.997 -1.065 . . . . 0.33000000000000002 109.454 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -54.34 -44.58 72.23 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.937 . . . . 3.2799999999999998 108.779 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -47.97 83.65 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.116 -0.99 . . . . 1.78 108.582 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.11 -43.83 97.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 0.38 109.124 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.317 -0.864 . . . . 1.2 109.238 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.472 -0.768 . . . . 2.1200000000000001 109.549 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.85 -48.71 80.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.395 -0.815 . . . . 0.26000000000000001 109.681 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.49 -40.96 96.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.186 -0.946 . . . . 0.40000000000000002 109.538 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 2.0899999999999999 109.561 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.13 -52.51 63.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.178 -0.951 . . . . 0.75 109.292 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.25 -45.27 92.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 2.1899999999999999 109.778 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.54 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 62.5 m-20 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.848 . . . . 1.3400000000000001 109.824 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.65 72.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.71999999999999997 109.369 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -70.21 -37.42 75.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 1.8 109.579 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.32 93.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 1.3899999999999999 109.744 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.47 58.43 2.89 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.626 -1.39 . . . . 1.6599999999999999 109.626 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.15 130.46 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.332 -1.099 . . . . 4.4500000000000002 109.553 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -57.96 149.16 56.67 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 6.1900000000000004 108.946 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.5 146.02 54.86 Favored 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 120.844 1.029 . . . . 5.5800000000000001 109.711 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.97 -1.461 . . . . 6.9000000000000004 109.457 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' D' ' 2' ' ' LYS . 97.8 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.115 -0.698 . . . . 7.3600000000000003 109.115 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' D' ' 1' ' ' LYS . 96.9 mttt 96.59 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.613 0 C-N-CA 123.641 0.776 . . . . 7.1500000000000004 109.58 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' D' ' 5' ' ' LEU . 24.0 mmtp 51.85 68.97 2.74 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.714 -0.616 . . . . 6.5 110.545 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.45 59.74 0.26 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.517 1.478 . . . . 4.5 109.642 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' D' ' 3' ' ' LYS . 87.7 mt -82.26 47.57 1.16 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.968 -1.083 . . . . 4.3200000000000003 109.338 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -78.98 -98.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 2.46 109.86 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' GLY . . . . . 0.402 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -70.6 145.74 40.88 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.583 -1.407 . . . . 0.96999999999999997 109.583 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.31 139.46 57.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.262 -1.14 . . . . 1.6699999999999999 109.287 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 95.6 m-85 -109.72 141.92 41.65 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.395 -0.816 . . . . 0.60999999999999999 109.736 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.97 140.06 45.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.425 -0.797 . . . . 0.56000000000000005 109.533 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.93 155.51 19.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 109.14 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.46 128.85 15.88 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.34999999999999998 109.253 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -84.54 128.15 34.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 1.3700000000000001 109.165 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.99 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.368 -0.833 . . . . 0.47999999999999998 110.29 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -75.86 145.98 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.447 -0.783 . . . . 2.0800000000000001 109.751 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.01 122.43 0.94 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.042 -1.223 . . . . 0.40000000000000002 110.042 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' D' ' 17' ' ' ARG . 30.9 ttt-85 -67.64 -42.37 82.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.244 . . . . 2.6400000000000001 109.062 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.21 -41.12 92.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 108.902 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 38.8 ttm180 -60.29 -39.99 88.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.78 . . . . 2.7400000000000002 109.182 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.02 -46.91 87.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.484 -0.76 . . . . 0.42999999999999999 109.561 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.01 -39.94 87.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.213 -0.93 . . . . 1.6899999999999999 109.689 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -60.15 -50.46 73.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.172 -0.955 . . . . 0.42999999999999999 110.281 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -64.74 -39.93 94.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.02 -1.05 . . . . 0.27000000000000002 109.608 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -54.66 -44.12 73.0 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.231 -0.918 . . . . 2.4500000000000002 108.659 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.93 -48.06 83.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.157 -0.965 . . . . 1.75 108.597 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.45 -43.6 96.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 0.31 109.216 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.98 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.331 -0.856 . . . . 1.22 109.201 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.04 90.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 1.73 109.466 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.63 -48.59 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.331 -0.855 . . . . 0.28000000000000003 109.677 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.74 -41.1 97.21 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.247 -0.908 . . . . 0.31 109.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.13 -43.32 95.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.5 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.05 -52.42 64.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 109.321 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.57 -45.23 91.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.403 -0.81 . . . . 1.5700000000000001 109.781 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.527 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 65.8 m-20 -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.859 . . . . 1.4399999999999999 110.007 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.14 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.64000000000000001 109.478 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -70.08 -37.39 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.456 -0.777 . . . . 1.21 109.664 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.99 93.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.271 -0.893 . . . . 1.22 109.652 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.52 58.39 2.91 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.582 -1.407 . . . . 1.5 109.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -85.02 131.9 34.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.202 -1.175 . . . . 4.1799999999999997 109.451 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.92 148.59 76.32 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 5.6699999999999999 108.91 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -53.63 146.69 42.63 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 120.864 1.042 . . . . 5.6500000000000004 109.703 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.927 -1.485 . . . . 7.2699999999999996 109.485 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.465 -0.569 . . . . 7.3300000000000001 109.465 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' LYS . 68.2 mttm 58.87 -5.49 0.06 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.858 -0.526 . . . . 7.21 111.021 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 1' ' ' LYS . 80.9 tttt 39.33 73.61 0.79 Allowed Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.234 -0.916 . . . . 6.4699999999999998 110.592 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.75 172.35 8.36 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.343 1.362 . . . . 4.5300000000000002 109.696 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.82 121.71 26.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.172 -0.955 . . . . 4.3499999999999996 108.702 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.13 170.16 16.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.312 -0.868 . . . . 2.48 109.249 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.8 149.01 51.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.755 -1.738 . . . . 0.97999999999999998 108.755 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.01 136.25 57.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.089 -1.242 . . . . 1.7 109.591 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.38 147.25 23.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.566 -0.709 . . . . 0.60999999999999999 109.524 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -137.48 140.85 41.45 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.37 -0.831 . . . . 0.57999999999999996 109.396 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.41 156.78 18.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.244 -0.91 . . . . 0.41999999999999998 109.241 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -147.17 130.07 16.23 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.121 -0.987 . . . . 0.35999999999999999 109.223 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.46 128.86 34.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.479 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.45 119.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.46999999999999997 109.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 2.0 tmm_? -79.89 130.65 35.47 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 2.1000000000000001 109.943 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.41 114.03 3.9 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 110.138 -1.185 . . . . 0.41999999999999998 110.138 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -60.11 -46.83 88.28 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.341 -1.094 . . . . 2.6800000000000002 109.254 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.99 -40.1 88.0 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 109.042 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.611 ' NH1' HD22 ' C' ' 30' ' ' LEU . 8.0 tpp180 -62.04 -40.02 94.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.426 -0.796 . . . . 2.77 109.114 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.11 -45.95 89.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.392 -0.818 . . . . 0.42999999999999999 108.9 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.91 -40.79 90.01 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 108.874 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.9 ttp -62.14 -50.15 73.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.44 109.297 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.92 -39.97 96.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.442 -0.786 . . . . 0.28999999999999998 109.387 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.47 -43.19 88.82 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.138 -0.976 . . . . 2.4399999999999999 108.48 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' D' ' 19' ' ' ARG . 88.3 tt0 -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.337 -0.852 . . . . 1.74 108.986 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.87 -43.47 98.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.29999999999999999 109.238 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.82 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.426 -0.797 . . . . 1.22 109.137 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.58 -40.02 93.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.549 -0.719 . . . . 1.72 109.988 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.54 -47.32 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.21 -0.931 . . . . 0.27000000000000002 109.523 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD22 ' NH1' ' C' ' 19' ' ' ARG . 81.5 mt -62.38 -40.93 98.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.186 -0.946 . . . . 0.28999999999999998 109.608 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.16 -44.6 94.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.58 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.13 -49.99 75.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.157 -0.964 . . . . 0.40999999999999998 109.428 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -61.12 -40.06 92.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.5600000000000001 109.255 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD2' ' NH2' ' C' ' 15' ' ' ARG . 90.5 m-20 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 1.4299999999999999 109.623 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.67 88.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.66000000000000003 109.423 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -80.56 -10.12 59.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.961 . . . . 1.1799999999999999 109.723 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.01 63.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 1.23 109.479 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.77 9.89 34.73 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.553 -1.419 . . . . 1.54 109.553 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -83.04 129.99 35.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.139 -1.212 . . . . 4.1799999999999997 109.31 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.44 149.08 62.11 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 5.71 109.049 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -56.3 154.74 27.72 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 120.925 1.083 . . . . 5.6100000000000003 109.778 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.507 -1.437 . . . . 7.2400000000000002 109.507 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' B' ' 3' ' ' LYS . 67.8 mttm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.376 -0.602 . . . . 7.3399999999999999 109.376 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 3' ' ' LYS . 68.3 mttm 59.55 -6.73 0.06 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.896 -0.503 . . . . 7.1699999999999999 110.848 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' B' ' 1' ' ' LYS . 80.9 tttt 40.57 74.11 0.77 Allowed Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.124 -0.985 . . . . 6.4400000000000004 110.783 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.52 171.29 10.88 Favored 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.384 1.39 . . . . 4.54 109.841 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.87 121.03 25.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 4.3200000000000003 109.011 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.37 166.66 21.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.862 . . . . 2.4700000000000002 109.563 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.93 148.17 43.02 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.939 -1.664 . . . . 0.94999999999999996 108.939 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.91 137.18 58.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.045 -1.267 . . . . 1.6100000000000001 109.49 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.22 147.37 23.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.48 -0.762 . . . . 0.56999999999999995 109.538 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.54 141.13 41.4 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.331 -0.856 . . . . 0.53000000000000003 109.358 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 58.0 p -88.35 157.26 18.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.166 -0.959 . . . . 0.38 109.173 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.41 130.08 16.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.17 -0.956 . . . . 0.35999999999999999 109.178 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' D' ' 9' ' ' TYR . 7.4 tt0 -84.39 128.39 34.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 1.3600000000000001 109.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.95 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.431 -0.793 . . . . 0.48999999999999999 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.505 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 1.9 tmm_? -79.54 131.45 36.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.3 -0.875 . . . . 2.1000000000000001 109.815 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.56 114.32 3.94 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 110.326 -1.109 . . . . 0.44 110.326 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.96 -47.2 86.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -1.097 . . . . 2.7200000000000002 109.265 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 2.21 109.14 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.565 ' NH1' HD22 ' D' ' 30' ' ' LEU . 8.7 tpp180 -61.91 -39.95 93.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.397 -0.815 . . . . 2.79 108.945 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.07 -46.17 88.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.8 . . . . 0.45000000000000001 108.917 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 -40.12 87.75 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.722 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.48 -49.99 73.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.469 -0.769 . . . . 0.42999999999999999 109.388 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.23 -40.05 96.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.399 -0.813 . . . . 0.28000000000000003 109.487 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -58.32 -42.84 87.62 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.087 -1.008 . . . . 2.52 108.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.51 ' OE2' ' NH1' ' C' ' 19' ' ' ARG . 88.9 tt0 -60.07 -48.24 82.54 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.39 -0.819 . . . . 1.75 108.972 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.42 -43.63 98.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 0.31 109.14 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -60.03 -47.91 83.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 1.21 109.283 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.45 -40.01 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.558 -0.714 . . . . 1.6899999999999999 110.1 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.8 -46.61 88.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.16 -0.963 . . . . 0.27000000000000002 109.562 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.619 HD22 ' NH1' ' D' ' 19' ' ' ARG . 82.9 mt -62.71 -41.15 99.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.635 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.437 -0.789 . . . . 1.9299999999999999 109.595 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.04 -49.94 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 0.40000000000000002 109.382 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -61.14 -40.08 92.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 1.5900000000000001 109.336 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' NH2' ' D' ' 15' ' ' ARG . 86.8 m-20 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.639 -0.663 . . . . 1.4299999999999999 109.762 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.02 90.2 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.236 -0.915 . . . . 0.65000000000000002 109.532 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -80.13 -9.87 59.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.102 -0.999 . . . . 1.1899999999999999 109.792 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.01 -19.89 63.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.115 -0.991 . . . . 1.22 109.384 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.94 10.16 34.47 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.618 -1.393 . . . . 1.53 109.618 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.37 130.3 35.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -1.179 . . . . 4.21 109.337 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.79 148.72 67.37 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 5.6799999999999997 109.041 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -56.07 154.31 28.44 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 C-N-CA 120.915 1.077 . . . . 5.5700000000000003 109.942 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 118.053 -1.415 . . . . 7.2000000000000002 109.574 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' C' ' 3' ' ' LYS . 67.6 mttm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.479 -0.564 . . . . 8.9600000000000009 109.479 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' C' ' 3' ' ' LYS . 68.2 mttm 58.77 -6.33 0.05 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.786 -0.572 . . . . 8.1500000000000004 111.001 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' C' ' 1' ' ' LYS . 81.0 tttt 40.03 74.11 0.75 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.183 -0.948 . . . . 7.1500000000000004 110.599 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.46 171.97 9.81 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.419 1.413 . . . . 4.3499999999999996 109.7 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.35 120.88 25.51 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.193 -0.942 . . . . 4.6299999999999999 108.752 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.03 169.79 17.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 2.8500000000000001 109.077 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.61 149.35 50.36 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.645 -1.782 . . . . 1.1200000000000001 108.645 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.13 136.48 58.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.179 -1.189 . . . . 2.1099999999999999 109.466 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.77 147.27 23.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.348 -0.845 . . . . 0.64000000000000001 109.498 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -137.23 141.53 42.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.403 -0.811 . . . . 0.48999999999999999 109.286 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 66.3 p -89.11 156.52 18.77 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.46999999999999997 109.185 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -146.78 129.96 16.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.066 -1.021 . . . . 0.41999999999999998 109.172 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.31 128.62 34.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.8100000000000001 109.373 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 120.04 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.514 -0.741 . . . . 0.41999999999999998 109.267 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.48 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 1.7 tmm_? -79.4 131.23 36.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.338 -0.851 . . . . 2.3500000000000001 109.766 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.88 114.26 3.94 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.48 -1.048 . . . . 0.40999999999999998 110.48 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.04 -47.12 87.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 2.5899999999999999 109.249 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.897 -1.127 . . . . 2.54 109.076 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.533 ' NH1' HD22 ' A' ' 30' ' ' LEU . 8.6 tpp180 -61.58 -40.08 93.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.432 -0.792 . . . . 3.3900000000000001 108.973 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.29 -46.29 88.96 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.448 -0.782 . . . . 0.46999999999999997 109.082 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.88 -40.1 87.54 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.174 -0.954 . . . . 1.6599999999999999 108.57 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.32 -49.87 73.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.33 -0.856 . . . . 0.60999999999999999 109.349 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -63.64 -40.04 95.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.448 -0.782 . . . . 0.33000000000000002 109.43 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -58.34 -42.81 87.66 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.003 -1.06 . . . . 3.2799999999999998 108.517 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' B' ' 19' ' ' ARG . 89.0 tt0 -59.97 -48.39 81.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.287 -0.883 . . . . 1.78 108.969 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.12 -43.92 98.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.38 109.259 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -60.12 -47.53 85.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.427 -0.796 . . . . 1.2 109.255 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.76 -39.9 93.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.518 -0.739 . . . . 2.1200000000000001 109.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.87 -46.79 88.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.147 -0.971 . . . . 0.26000000000000001 109.549 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.611 HD22 ' NH1' ' A' ' 19' ' ' ARG . 83.2 mt -62.52 -41.12 98.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.157 -0.964 . . . . 0.40000000000000002 109.667 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.23 -44.42 95.21 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 2.0899999999999999 109.673 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.14 -49.9 75.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 0.75 109.175 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.57 -39.97 93.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.18 -0.95 . . . . 2.1899999999999999 109.212 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.492 ' OD2' ' NH2' ' A' ' 15' ' ' ARG . 89.8 m-20 -59.96 -40.12 87.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -0.77 . . . . 1.3400000000000001 109.657 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.98 88.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.71999999999999997 109.644 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -80.25 -10.0 59.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.225 -0.922 . . . . 1.8 109.81 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.99 -19.78 63.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.3899999999999999 109.424 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.18 9.58 39.28 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.63 -1.388 . . . . 1.6599999999999999 109.63 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -82.72 130.75 35.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -1.131 . . . . 4.4500000000000002 109.398 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.24 148.74 71.11 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.23 -0.919 . . . . 6.1900000000000004 109.15 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.96 154.24 28.14 Favored 'Trans proline' 0 C--N 1.323 -0.78 0 C-N-CA 121.039 1.159 . . . . 5.5800000000000001 109.697 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.454 -1.458 . . . . 6.9000000000000004 109.454 -179.874 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' D' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.432 -0.581 . . . . 7.3600000000000003 109.432 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' D' ' 3' ' ' LYS . 68.2 mttm 59.49 -6.7 0.06 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.871 -0.518 . . . . 7.1500000000000004 110.823 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' D' ' 1' ' ' LYS . 81.1 tttt 40.14 74.07 0.76 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.179 -0.95 . . . . 6.5 110.525 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.36 172.44 8.98 Favored 'Trans proline' 0 C--N 1.317 -1.127 0 C-N-CA 121.525 1.483 . . . . 4.5 109.567 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.18 121.29 26.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 4.3200000000000003 108.829 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.05 169.73 17.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.295 -0.878 . . . . 2.46 109.339 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.72 148.75 50.66 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.635 -1.786 . . . . 0.96999999999999997 108.635 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 136.93 58.16 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.181 -1.188 . . . . 1.6699999999999999 109.378 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.433 ' CD2' ' OE1' ' B' ' 13' ' ' GLN . 97.8 m-85 -96.18 146.67 24.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.423 -0.798 . . . . 0.60999999999999999 109.544 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -136.81 141.35 42.89 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.407 -0.808 . . . . 0.56000000000000005 109.439 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -88.57 157.23 18.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 0.42999999999999999 109.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.46 129.99 15.88 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.073 -1.017 . . . . 0.34999999999999998 109.163 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.39 128.85 34.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.491 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.12 119.97 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.459 -0.776 . . . . 0.47999999999999998 109.348 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ARG . . . . . 0.521 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 1.8 tmm_? -79.73 130.75 35.61 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 2.0800000000000001 109.914 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.94 114.58 3.98 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.281 -1.128 . . . . 0.40000000000000002 110.281 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.93 -47.34 86.18 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.463 -1.022 . . . . 2.6400000000000001 109.422 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.0 -40.13 88.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.908 -1.12 . . . . 2.2200000000000002 108.999 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.619 ' NH1' HD22 ' B' ' 30' ' ' LEU . 8.0 tpp180 -61.93 -39.95 93.84 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.329 -0.857 . . . . 2.7400000000000002 109.009 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.02 -45.99 89.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.866 -0.79 . . . . 0.42999999999999999 108.866 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 -40.39 88.82 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.187 -0.946 . . . . 1.6899999999999999 108.972 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.8 ttp -62.66 -50.0 72.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 109.233 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.97 -40.02 96.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.807 . . . . 0.27000000000000002 109.437 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.67 -42.72 89.09 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.044 -1.035 . . . . 2.4500000000000002 108.38 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 88.1 tt0 -60.18 -47.99 83.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.896 . . . . 1.75 108.936 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.39 -44.0 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 0.31 109.202 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -59.98 -47.32 86.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.406 -0.809 . . . . 1.22 109.354 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.95 -40.09 94.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 1.73 109.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.88 -46.01 90.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 0.28000000000000003 109.651 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' LEU . . . . . 0.565 HD22 ' NH1' ' B' ' 19' ' ' ARG . 80.8 mt -63.57 -40.58 97.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.09 -1.006 . . . . 0.31 109.339 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.14 -44.93 94.58 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.269 -0.894 . . . . 1.9099999999999999 109.78 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.216 -0.928 . . . . 0.42999999999999999 109.347 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.07 -40.19 92.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 1.5700000000000001 109.201 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.505 ' OD2' ' NH2' ' B' ' 15' ' ' ARG . 90.2 m-20 -59.89 -40.12 87.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.524 -0.735 . . . . 1.4399999999999999 109.655 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.06 89.1 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.266 -0.896 . . . . 0.64000000000000001 109.501 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -80.2 -9.87 59.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -0.893 . . . . 1.21 109.797 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 -19.94 63.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 1.22 109.452 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.76 9.19 38.36 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.557 -1.417 . . . . 1.5 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.34 131.01 35.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -1.122 . . . . 4.1799999999999997 109.414 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 148.28 77.1 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 5.6699999999999999 109.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -55.54 154.12 26.26 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.138 1.225 . . . . 5.6500000000000004 109.921 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.957 -1.468 . . . . 7.2699999999999996 109.519 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.661 -0.496 . . . . 7.3300000000000001 109.661 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 32.3 ttmt 46.7 92.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.323 -0.861 . . . . 7.21 109.135 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 5' ' ' LEU . 42.1 mttp 89.68 71.05 0.04 OUTLIER Pre-proline 0 N--CA 1.51 2.541 0 C-N-CA 123.086 0.555 . . . . 6.4699999999999998 109.879 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -65.16 12.85 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.932 0 C-N-CA 121.73 1.62 . . . . 4.5300000000000002 110.153 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 3' ' ' LYS . 87.2 mt -81.28 123.09 28.21 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.072 -1.018 . . . . 4.3499999999999996 109.311 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -82.95 -110.78 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.329 -0.857 . . . . 2.48 109.961 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.26 143.75 39.79 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 110.002 -1.239 . . . . 0.97999999999999998 110.002 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.77 140.02 57.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -1.068 . . . . 1.7 109.734 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.9 146.61 24.44 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.558 -0.714 . . . . 0.60999999999999999 109.373 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -136.33 140.83 43.61 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.28 -0.888 . . . . 0.57999999999999996 110.041 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -89.9 152.12 21.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.082 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.56 130.47 20.48 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.16 -0.963 . . . . 0.35999999999999999 109.165 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -84.87 128.56 34.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 1.3700000000000001 109.328 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.02 124.38 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.521 -0.737 . . . . 0.46999999999999997 110.023 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -75.35 143.86 42.62 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.518 -0.738 . . . . 2.1000000000000001 110.439 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.24 121.84 0.93 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.646 -0.982 . . . . 0.41999999999999998 110.646 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 17' ' ' ARG . 37.9 ttt-85 -67.19 -42.74 83.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.375 -1.074 . . . . 2.6800000000000002 109.041 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -43.18 95.66 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.057 -1.027 . . . . 2.2200000000000002 108.451 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.476 HH12 ' CD ' ' D' ' 25' ' ' GLU . 10.3 tpp180 -60.41 -39.98 89.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.474 -0.766 . . . . 2.77 108.936 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.3 -45.23 88.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 108.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.46 -40.05 85.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.253 -0.904 . . . . 1.6599999999999999 108.633 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 29.7 ttp -62.52 -49.94 73.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.278 -0.889 . . . . 0.44 109.301 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.81 -40.02 93.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.28999999999999998 109.207 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.79 -44.54 77.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.094 -1.004 . . . . 2.4399999999999999 108.586 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' D' ' 19' ' ' ARG . 88.7 tt0 -59.92 -47.95 83.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 1.74 109.388 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.25 -44.36 97.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.16 -0.963 . . . . 0.29999999999999999 109.397 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 1.22 109.279 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -39.86 91.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.45 -0.781 . . . . 1.72 109.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.712 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -57.8 -48.98 78.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.27000000000000002 109.803 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.35 -41.59 98.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.07 -1.018 . . . . 0.28999999999999998 109.301 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.74 95.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.601 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.04 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 0.40999999999999998 109.216 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.7 -46.88 87.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 1.5600000000000001 109.319 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.978 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.66000000000000003 109.955 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -81.01 -9.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.034 -1.042 . . . . 1.1799999999999999 109.478 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.4 84.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 1.23 109.419 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.7 44.33 2.73 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.909 -1.276 . . . . 1.54 109.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -83.68 150.97 25.53 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.253 . . . . 4.1799999999999997 109.537 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -55.87 150.01 30.21 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 5.71 108.874 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -53.24 163.23 2.46 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 121.005 1.136 . . . . 5.6100000000000003 109.846 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.503 -1.439 . . . . 7.2400000000000002 109.503 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.758 -0.46 . . . . 7.3399999999999999 109.758 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 32.2 ttmt 46.68 91.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 7.1699999999999999 109.161 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' B' ' 5' ' ' LEU . 41.8 mttp 89.74 70.69 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.583 0 C-N-CA 123.037 0.535 . . . . 6.4400000000000004 109.957 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.77 13.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.736 1.624 . . . . 4.54 110.235 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' B' ' 3' ' ' LYS . 86.8 mt -81.5 122.87 28.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.05 . . . . 4.3200000000000003 109.354 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -82.77 -110.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.32 -0.863 . . . . 2.4700000000000002 109.942 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.73 143.35 38.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.933 -1.267 . . . . 0.94999999999999996 109.933 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.55 139.99 57.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -1.068 . . . . 1.6100000000000001 109.803 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.98 147.38 23.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.357 -0.839 . . . . 0.56999999999999995 109.429 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -136.84 141.53 42.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.271 -0.893 . . . . 0.53000000000000003 110.002 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -90.8 151.34 21.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.51 -0.744 . . . . 0.38 109.085 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.73 130.28 21.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.267 -0.895 . . . . 0.35999999999999999 109.179 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.18 128.82 34.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 1.3600000000000001 109.242 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.42 124.19 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.553 -0.717 . . . . 0.48999999999999999 109.794 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -75.09 144.5 42.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.552 -0.717 . . . . 2.1000000000000001 110.285 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.58 121.42 0.81 Allowed Glycine 0 N--CA 1.495 2.598 0 C-N-CA 120.396 -0.907 . . . . 0.44 110.88 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 38.1 ttt-85 -66.82 -42.92 85.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 2.7200000000000002 109.174 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.91 -43.23 94.97 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.039 -1.038 . . . . 2.21 108.381 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.564 HH12 ' CD ' ' C' ' 25' ' ' GLU . 10.1 tpp180 -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.417 -0.802 . . . . 2.79 108.985 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.43 -45.06 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.36 -0.838 . . . . 0.45000000000000001 109.06 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 99.3 mt-10 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.259 -0.901 . . . . 1.6799999999999999 108.572 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 28.2 ttp -62.2 -50.44 71.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.368 -0.833 . . . . 0.42999999999999999 109.305 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.67 -40.03 93.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.386 -0.821 . . . . 0.28000000000000003 109.189 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.6 -44.5 77.03 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.219 -0.925 . . . . 2.52 108.66 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.551 ' CD ' HH12 ' C' ' 19' ' ' ARG . 88.4 tt0 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.361 -0.837 . . . . 1.75 109.332 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.87 -44.33 97.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 0.31 109.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.03 -50.05 75.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 1.21 109.324 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.01 -39.72 90.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.479 -0.763 . . . . 1.6899999999999999 109.931 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.712 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.05 -49.33 77.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.159 -0.963 . . . . 0.27000000000000002 109.634 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.92 -41.65 98.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.014 . . . . 0.29999999999999999 109.352 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.77 95.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.299 -0.876 . . . . 1.9299999999999999 109.718 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.326 -0.858 . . . . 0.40000000000000002 109.203 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.64 -47.33 85.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.413 -0.805 . . . . 1.5900000000000001 109.352 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.95 -39.98 87.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.625 -0.672 . . . . 1.4299999999999999 110.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.08 95.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.885 . . . . 0.65000000000000002 109.768 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -80.69 -9.89 59.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 1.1899999999999999 109.643 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.12 82.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 1.22 109.363 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 44.8 2.89 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.944 -1.263 . . . . 1.53 109.944 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -83.93 151.11 25.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.147 -1.208 . . . . 4.21 109.398 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.87 149.97 30.48 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.174 -0.954 . . . . 5.6799999999999997 109.015 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -53.12 162.68 2.67 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.118 1.212 . . . . 5.5700000000000003 109.907 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.476 -1.449 . . . . 7.2000000000000002 109.476 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' C' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.727 -0.471 . . . . 8.9600000000000009 109.727 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' C' ' 3' ' ' LYS . 32.1 ttmt 46.68 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.171 -0.956 . . . . 8.1500000000000004 109.171 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' C' ' 5' ' ' LEU . 42.3 mttp 90.07 70.94 0.04 OUTLIER Pre-proline 0 N--CA 1.509 2.51 0 C-N-CA 123.13 0.572 . . . . 7.1500000000000004 109.886 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' H ' ' C' ' 3' ' ' LYS . 2.6 Cg_endo -65.15 12.94 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 121.674 1.583 . . . . 4.3499999999999996 110.328 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' C' ' 3' ' ' LYS . 87.4 mt -81.56 122.87 28.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.928 -1.107 . . . . 4.6299999999999999 109.295 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -82.87 -109.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 2.8500000000000001 110.047 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.4 143.29 37.02 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.984 -1.246 . . . . 1.1200000000000001 109.984 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 139.97 57.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 2.1099999999999999 109.641 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -96.2 146.41 24.71 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.488 -0.758 . . . . 0.64000000000000001 109.336 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -136.2 140.82 43.84 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.275 -0.891 . . . . 0.48999999999999999 109.964 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.84 154.09 20.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.847 . . . . 0.46999999999999997 108.998 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.19 129.91 18.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 0.41999999999999998 109.211 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.02 128.78 34.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 1.8100000000000001 109.433 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.16 124.29 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.521 -0.737 . . . . 0.41999999999999998 109.847 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.22 144.39 42.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.419 -0.8 . . . . 2.3500000000000001 110.252 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.57 121.91 0.84 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.728 -0.949 . . . . 0.40999999999999998 110.728 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' C' ' 17' ' ' ARG . 36.4 ttt-85 -67.25 -42.41 83.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -1.062 . . . . 2.5899999999999999 109.195 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.4 -43.15 96.94 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.321 -0.992 . . . . 2.54 108.321 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.551 HH12 ' CD ' ' B' ' 25' ' ' GLU . 9.9 tpp180 -60.35 -39.92 88.87 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.949 -0.76 . . . . 3.3900000000000001 108.949 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.0 -44.27 91.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.46999999999999997 108.979 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.93 -40.02 87.49 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.251 -0.906 . . . . 1.6599999999999999 108.566 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 28.9 ttp -62.52 -50.36 71.68 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.469 -0.769 . . . . 0.60999999999999999 109.499 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.72 -39.96 93.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.395 -0.815 . . . . 0.33000000000000002 109.136 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.52 -44.59 76.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.183 -0.948 . . . . 3.2799999999999998 108.691 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLU . . . . . 0.564 ' CD ' HH12 ' B' ' 19' ' ' ARG . 88.5 tt0 -60.09 -48.18 82.81 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.354 -0.841 . . . . 1.78 109.338 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.92 -44.5 97.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.38 109.331 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.92 -50.03 75.38 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.22 -0.925 . . . . 1.2 109.234 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.98 -40.04 91.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 2.1200000000000001 109.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -57.57 -49.97 74.63 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 0.26000000000000001 109.609 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.33 -41.88 97.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.058 -1.026 . . . . 0.40000000000000002 109.381 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.54 94.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 2.0899999999999999 109.467 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.75 109.257 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.71 -47.14 86.6 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.366 -0.834 . . . . 2.1899999999999999 109.259 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.97 -40.07 87.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.556 -0.715 . . . . 1.3400000000000001 110.01 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.0 94.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 0.71999999999999997 110.011 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -80.66 -9.93 59.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 1.8 109.566 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.16 85.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.3899999999999999 109.509 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.31 43.68 2.55 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.011 -1.236 . . . . 1.6599999999999999 110.011 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.88 151.17 26.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.085 -1.244 . . . . 4.4500000000000002 109.515 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -55.97 150.27 30.02 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 6.1900000000000004 108.874 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.64 163.06 3.01 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.045 1.163 . . . . 5.5800000000000001 109.847 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.935 -1.481 . . . . 6.9000000000000004 109.583 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 109.297 -0.631 . . . . 7.3600000000000003 109.297 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' D' ' 3' ' ' LYS . 32.0 ttmt 65.94 -12.25 0.18 Allowed 'General case' 0 N--CA 1.509 2.491 0 N-CA-C 114.219 1.192 . . . . 7.1500000000000004 114.219 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' D' ' 2' ' ' LYS . 44.4 mttp -165.81 78.96 1.18 Allowed Pre-proline 0 C--N 1.283 -2.299 0 N-CA-C 105.857 -1.905 . . . . 6.5 105.857 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.64 11.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.318 -1.052 0 C-N-CA 121.114 1.209 . . . . 4.5 111.394 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' D' ' 3' ' ' LYS . 87.3 mt -83.38 121.25 26.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.901 -1.124 . . . . 4.3200000000000003 109.032 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -82.74 -108.4 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.209 -0.932 . . . . 2.46 109.869 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.35 142.83 36.31 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.83 -1.308 . . . . 0.96999999999999997 109.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.63 139.97 57.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.343 -1.092 . . . . 1.6699999999999999 109.787 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.68 147.31 23.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.406 -0.809 . . . . 0.60999999999999999 109.554 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.81 140.96 42.86 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.296 -0.877 . . . . 0.56000000000000005 110.062 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.8 p -90.45 151.29 21.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.378 -0.826 . . . . 0.42999999999999999 109.069 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.52 130.53 21.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.34999999999999998 109.357 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.53 128.74 34.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.262 -0.899 . . . . 1.3700000000000001 109.257 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.33 123.96 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.488 -0.757 . . . . 0.47999999999999998 109.798 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -74.84 144.33 43.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.443 -0.786 . . . . 2.0800000000000001 110.379 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.8 121.17 0.82 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.766 -0.934 . . . . 0.40000000000000002 110.766 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' D' ' 17' ' ' ARG . 38.5 ttt-85 -66.52 -42.79 86.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.427 -1.043 . . . . 2.6400000000000001 109.24 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -43.24 95.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.107 -0.996 . . . . 2.2200000000000002 108.407 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' A' ' 25' ' ' GLU . 10.2 tpp180 -60.24 -40.05 88.87 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.014 -0.736 . . . . 2.7400000000000002 109.014 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.55 -44.84 89.79 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.237 -0.915 . . . . 0.42999999999999999 109.051 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -40.0 87.2 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 1.6899999999999999 108.627 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 29.2 ttp -62.35 -49.96 73.5 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.35 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.87 -39.96 93.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.27000000000000002 109.224 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.94 -44.47 78.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.139 -0.976 . . . . 2.4500000000000002 108.654 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLU . . . . . 0.476 ' CD ' HH12 ' A' ' 19' ' ' ARG . 88.6 tt0 -59.95 -47.99 83.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.532 -0.73 . . . . 1.75 109.321 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.29 -44.45 97.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.184 -0.948 . . . . 0.31 109.259 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.06 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 1.22 109.249 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -40.01 91.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.461 -0.774 . . . . 1.73 110.041 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -57.74 -49.58 76.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.192 -0.942 . . . . 0.28000000000000003 109.63 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.84 -41.37 97.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.04 -1.037 . . . . 0.31 109.499 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -42.73 96.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.42999999999999999 109.006 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.59 -47.3 86.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.839 . . . . 1.5700000000000001 109.49 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.07 -40.04 88.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.694 -0.629 . . . . 1.4399999999999999 110.045 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.97 94.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.64000000000000001 109.88 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -80.99 -9.66 59.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.16 -0.963 . . . . 1.21 109.526 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.71 84.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 1.22 109.39 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.4 43.44 2.53 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.046 -1.222 . . . . 1.5 110.046 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -82.41 154.38 25.22 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.076 -1.249 . . . . 4.1799999999999997 109.274 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 150.02 70.92 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 5.6699999999999999 108.65 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.7 162.47 2.42 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 C-N-CA 120.979 1.119 . . . . 5.6500000000000004 109.785 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.459 -1.457 . . . . 7.2699999999999996 109.459 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.189 -0.671 . . . . 7.3300000000000001 109.189 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.7 mttt 47.46 -117.55 0.84 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 7.21 109.799 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 48.96 65.91 6.45 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.135 -0.978 . . . . 6.4699999999999998 109.333 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.75 168.91 6.28 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 121.453 1.435 . . . . 4.5300000000000002 109.84 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.7 mp -77.44 135.9 38.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 4.3499999999999996 109.099 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -80.55 121.29 25.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 2.48 110.166 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -71.2 148.8 44.78 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.252 -1.539 . . . . 0.97999999999999998 109.252 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.93 134.14 56.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.055 -1.261 . . . . 1.7 109.472 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 97.9 m-85 -109.99 145.22 37.35 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.427 -0.796 . . . . 0.60999999999999999 109.457 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.27 138.71 43.77 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.345 -0.847 . . . . 0.57999999999999996 109.292 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.37 157.08 18.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.41999999999999998 109.027 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -146.77 127.04 13.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.14 -0.975 . . . . 0.35999999999999999 109.359 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -84.6 128.86 34.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.657 -0.868 . . . . 1.3700000000000001 108.657 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.04 119.99 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.385 -0.822 . . . . 0.46999999999999997 109.681 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -77.5 138.03 38.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.606 -0.684 . . . . 2.1000000000000001 110.011 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.71 124.74 2.35 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 110.04 -1.224 . . . . 0.41999999999999998 110.04 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 17' ' ' ARG . 14.1 ttt-85 -66.42 -42.45 87.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -1.161 . . . . 2.6800000000000002 109.71 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.19 91.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 2.2200000000000002 108.643 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.477 -0.764 . . . . 2.77 108.998 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.94 -49.06 79.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.42999999999999999 109.554 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.55 -39.27 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.304 -0.873 . . . . 1.6599999999999999 109.119 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -59.96 -51.85 67.93 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.44 110.167 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -67.08 -39.74 86.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.28999999999999998 109.652 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -55.16 -41.78 72.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.2 -0.937 . . . . 2.4399999999999999 108.546 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -49.47 77.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.222 -1.029 . . . . 1.74 108.222 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.4 -44.86 93.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.415 -0.803 . . . . 0.29999999999999999 109.536 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 1.22 109.474 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.9 tt0 -60.2 -39.94 88.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.369 -0.832 . . . . 1.72 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.57 -46.62 88.37 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.278 -0.889 . . . . 0.27000000000000002 109.253 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.72 -41.21 97.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.202 -0.936 . . . . 0.28999999999999998 109.159 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.09 -42.5 94.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.2 -46.57 89.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 0.40999999999999998 108.793 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.505 -0.747 . . . . 1.5600000000000001 109.446 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.03 -40.05 83.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 1.4299999999999999 108.884 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.31 77.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.215 -0.928 . . . . 0.66000000000000003 108.945 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -73.76 -24.14 59.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -0.831 . . . . 1.1799999999999999 109.239 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.53 -9.54 49.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 1.23 109.389 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 7.26 54.63 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.305 -1.518 . . . . 1.54 109.305 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -83.81 129.7 34.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -1.083 . . . . 4.1799999999999997 109.347 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -59.62 149.92 68.9 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 5.71 109.236 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -57.78 143.18 95.97 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 120.931 1.088 . . . . 5.6100000000000003 109.522 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 117.992 -1.449 . . . . 7.2400000000000002 109.741 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.305 -0.628 . . . . 7.3399999999999999 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 47.27 -117.23 0.79 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 7.1699999999999999 109.777 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 48.91 65.46 7.07 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.177 -0.952 . . . . 6.4400000000000004 109.359 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.7 168.92 6.2 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.275 1.317 . . . . 4.54 109.824 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.499 HD12 ' N ' ' B' ' 5' ' ' LEU . 9.7 mp -77.44 135.8 38.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.315 -0.866 . . . . 4.3200000000000003 108.954 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.09 124.55 28.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.352 -0.842 . . . . 2.4700000000000002 109.795 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -75.03 148.91 38.6 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.987 -1.645 . . . . 0.94999999999999996 108.987 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.44 134.06 56.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.198 -1.178 . . . . 1.6100000000000001 109.453 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 97.9 m-85 -110.07 144.82 38.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.55 -0.719 . . . . 0.56999999999999995 109.332 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.04 138.52 43.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.34 -0.85 . . . . 0.53000000000000003 109.307 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.03 157.25 18.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.3 -0.875 . . . . 0.38 109.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -146.69 127.39 14.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.145 -0.972 . . . . 0.35999999999999999 109.311 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.09 128.73 34.77 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.567 -0.901 . . . . 1.3600000000000001 108.567 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.0 120.06 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.46 -0.775 . . . . 0.48999999999999999 109.745 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -77.44 138.12 39.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.62 -0.675 . . . . 2.1000000000000001 110.054 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.64 125.43 2.46 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.905 -1.278 . . . . 0.44 109.905 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' B' ' 17' ' ' ARG . 14.2 ttt-85 -67.64 -41.73 83.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -1.165 . . . . 2.7200000000000002 109.604 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.99 -41.39 91.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.988 -1.07 . . . . 2.21 108.632 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.46 -39.93 89.36 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.486 -0.759 . . . . 2.79 109.098 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -0.806 . . . . 0.45000000000000001 109.43 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.1 -39.31 78.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.192 -0.942 . . . . 1.6799999999999999 109.266 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 64.5 ttp -60.05 -51.59 68.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.244 -0.91 . . . . 0.42999999999999999 110.023 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -67.33 -40.0 85.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.05 -1.031 . . . . 0.28000000000000003 109.762 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.79 -41.76 70.95 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.473 -0.936 . . . . 2.52 108.473 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -59.95 -49.88 75.95 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.284 -1.006 . . . . 1.75 108.284 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.32 -44.71 94.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.474 -0.766 . . . . 0.31 109.481 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -60.05 -49.13 78.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 1.21 109.359 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -40.02 88.11 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 1.6899999999999999 109.246 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.61 -46.64 88.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.296 -0.877 . . . . 0.27000000000000002 109.334 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.91 -41.33 97.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.093 -1.004 . . . . 0.29999999999999999 109.256 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -59.99 -42.23 93.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 1.9299999999999999 109.267 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.21 -46.41 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.309 -0.87 . . . . 0.40000000000000002 108.785 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 36.3 ttmt -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.478 -0.764 . . . . 1.5900000000000001 109.474 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.99 -39.93 83.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.876 . . . . 1.4299999999999999 108.933 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.24 77.16 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.244 -0.91 . . . . 0.65000000000000002 108.94 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -73.96 -24.92 59.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.1899999999999999 109.313 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.03 -9.37 45.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 1.22 109.334 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 6.52 56.77 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 1.53 109.277 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -83.63 129.67 34.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -1.072 . . . . 4.21 109.4 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.71 149.82 70.05 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 5.6799999999999997 109.23 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -57.47 143.54 94.1 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.93 1.086 . . . . 5.5700000000000003 109.711 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.973 -1.459 . . . . 7.2000000000000002 109.549 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.405 -0.591 . . . . 8.9600000000000009 109.405 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 48.38 -117.57 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.216 -0.927 . . . . 8.1500000000000004 109.719 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 48.82 65.58 6.9 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 7.1500000000000004 109.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.54 168.13 7.16 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 121.424 1.416 . . . . 4.3499999999999996 109.829 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.499 HD12 ' N ' ' C' ' 5' ' ' LEU . 9.6 mp -77.12 136.5 38.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.941 . . . . 4.6299999999999999 108.953 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.61 121.96 26.48 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.345 -0.847 . . . . 2.8500000000000001 110.105 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' GLY . . . . . 0.457 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -72.18 149.27 43.88 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.261 -1.536 . . . . 1.1200000000000001 109.261 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.94 133.87 56.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.073 -1.251 . . . . 2.1099999999999999 109.396 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 97.8 m-85 -110.07 144.77 38.17 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.359 -0.838 . . . . 0.64000000000000001 109.397 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.18 138.53 43.75 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.48999999999999999 109.321 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -88.1 156.77 19.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.354 -0.841 . . . . 0.46999999999999997 109.041 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -146.23 128.02 15.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.255 -0.903 . . . . 0.41999999999999998 109.15 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.63 128.69 34.84 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.574 -0.899 . . . . 1.8100000000000001 108.574 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -119.94 120.07 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.396 -0.815 . . . . 0.41999999999999998 109.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -77.16 138.07 39.26 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.611 -0.681 . . . . 2.3500000000000001 109.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.81 125.26 2.48 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 110.059 -1.217 . . . . 0.40999999999999998 110.059 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' C' ' 17' ' ' ARG . 14.9 ttt-85 -67.2 -42.11 84.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -1.145 . . . . 2.5899999999999999 109.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.11 -41.35 92.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 2.54 108.629 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.5 -39.97 89.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.991 -0.744 . . . . 3.3900000000000001 108.991 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -60.0 -48.71 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.493 -0.754 . . . . 0.46999999999999997 109.529 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.57 -39.43 80.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.188 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 64.8 ttp -59.97 -52.01 67.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.333 -0.854 . . . . 0.60999999999999999 110.168 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.89 -39.53 87.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.104 -0.998 . . . . 0.33000000000000002 109.637 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -55.33 -41.88 73.06 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.205 -0.935 . . . . 3.2799999999999998 108.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' D' ' 33' ' ' LYS . 54.2 tp10 -59.99 -49.31 78.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.28 -1.007 . . . . 1.78 108.28 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.57 -44.74 93.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.43 -0.794 . . . . 0.38 109.622 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.03 -49.34 78.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 1.2 109.313 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.211 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.58 -46.67 88.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 0.26000000000000001 109.195 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.64 -41.49 97.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.158 -0.963 . . . . 0.40000000000000002 109.197 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.16 -42.01 94.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 2.0899999999999999 109.431 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.56 -46.37 90.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.231 -0.918 . . . . 0.75 108.66 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.11 -39.96 87.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.516 -0.74 . . . . 2.1899999999999999 109.43 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.16 -40.07 84.43 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.263 -0.898 . . . . 1.3400000000000001 108.926 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.66 77.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.238 -0.914 . . . . 0.71999999999999997 109.001 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -73.99 -23.93 59.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 1.8 109.328 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.84 -8.99 48.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.111 -0.993 . . . . 1.3899999999999999 109.375 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.81 6.82 57.64 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.247 -1.541 . . . . 1.6599999999999999 109.247 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.65 129.38 34.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -1.121 . . . . 4.4500000000000002 109.521 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -59.5 149.76 68.65 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.357 -0.839 . . . . 6.1900000000000004 109.206 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.73 142.99 96.18 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 120.987 1.125 . . . . 5.5800000000000001 109.659 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.996 -1.447 . . . . 6.9000000000000004 109.619 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.291 -0.633 . . . . 7.3600000000000003 109.291 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 47.54 -117.34 0.82 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.153 -0.967 . . . . 7.1500000000000004 109.757 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 49.0 tttp 48.97 65.62 6.85 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 6.5 109.369 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.66 168.32 7.05 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.368 1.379 . . . . 4.5 109.761 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' LEU . . . . . 0.48 HD12 ' N ' ' D' ' 5' ' ' LEU . 9.7 mp -77.3 136.54 38.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.202 -0.936 . . . . 4.3200000000000003 108.904 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.67 122.64 27.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.362 -0.836 . . . . 2.46 110.015 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -72.53 149.36 43.44 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.216 -1.554 . . . . 0.96999999999999997 109.216 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.87 134.07 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -1.232 . . . . 1.6699999999999999 109.535 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.434 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 98.0 m-85 -110.0 145.13 37.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.465 -0.772 . . . . 0.60999999999999999 109.464 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.36 138.48 43.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.372 -0.83 . . . . 0.56000000000000005 109.355 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -88.37 156.92 18.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.835 . . . . 0.42999999999999999 109.101 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -146.34 127.92 15.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.937 . . . . 0.34999999999999998 109.15 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.6 128.71 34.84 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.523 -0.917 . . . . 1.3700000000000001 108.523 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.03 119.97 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.335 -0.853 . . . . 0.47999999999999998 109.598 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -77.0 138.12 39.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 2.0800000000000001 110.01 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.65 124.79 2.34 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.106 -1.198 . . . . 0.40000000000000002 110.106 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' D' ' 17' ' ' ARG . 13.6 ttt-85 -66.68 -42.32 86.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -1.151 . . . . 2.6400000000000001 109.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.45 92.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.013 -1.054 . . . . 2.2200000000000002 108.596 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.42 -40.05 89.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.413 -0.804 . . . . 2.7400000000000002 109.119 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.0 -49.38 77.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.334 -0.854 . . . . 0.42999999999999999 109.384 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.1 -39.24 78.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 1.6899999999999999 109.203 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.04 -51.54 69.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.32 -0.862 . . . . 0.42999999999999999 110.154 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -67.15 -40.09 86.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.27000000000000002 109.689 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.81 -41.91 71.22 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.209 -0.932 . . . . 2.4500000000000002 108.52 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -59.96 -49.63 76.93 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.245 -1.021 . . . . 1.75 108.245 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.51 -44.47 94.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 0.31 109.537 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.03 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 1.22 109.435 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -40.09 89.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.493 -0.754 . . . . 1.73 109.313 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.58 -46.74 88.05 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 0.28000000000000003 109.195 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.67 -41.33 97.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 0.31 109.231 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.98 -42.06 93.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.335 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.63 -46.43 90.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.42999999999999999 108.582 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' C' ' 25' ' ' GLU . 36.3 ttmt -60.04 -39.85 87.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.592 -0.693 . . . . 1.5700000000000001 109.443 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.3 -39.92 84.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 1.4399999999999999 108.974 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.92 76.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.169 -0.957 . . . . 0.64000000000000001 108.899 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.91 -24.37 59.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.21 109.281 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.72 -9.38 50.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 1.22 109.466 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.3 6.81 56.09 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.279 -1.528 . . . . 1.5 109.279 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -83.71 129.72 34.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -1.109 . . . . 4.1799999999999997 109.48 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -60.0 149.4 74.15 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.388 -0.82 . . . . 5.6699999999999999 109.382 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -57.33 143.33 94.15 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 120.975 1.117 . . . . 5.6500000000000004 109.72 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.45 -1.46 . . . . 7.2699999999999996 109.45 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 3' ' ' LYS . 58.6 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.274 -0.639 . . . . 7.3300000000000001 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 64.49 -47.81 0.31 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.878 -0.514 . . . . 7.21 110.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 1' ' ' LYS . 82.4 mttt 48.61 67.68 4.27 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 120.859 -1.151 . . . . 6.4699999999999998 109.945 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.1 138.69 68.73 Favored 'Trans proline' 0 C--N 1.316 -1.149 0 C-N-CA 121.322 1.348 . . . . 4.5300000000000002 109.779 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -78.92 143.52 35.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 4.3499999999999996 109.666 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.76 -7.21 59.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 2.48 109.713 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.42 122.38 17.77 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.555 -1.418 . . . . 0.97999999999999998 109.555 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.74 139.9 58.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.449 -1.03 . . . . 1.7 109.889 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.59 145.84 24.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.346 -0.847 . . . . 0.60999999999999999 108.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.98 141.73 47.39 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.22 -0.925 . . . . 0.57999999999999996 109.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.7 p -89.23 156.42 18.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.877 . . . . 0.41999999999999998 108.776 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -147.09 130.91 17.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.082 -1.011 . . . . 0.35999999999999999 109.22 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.74 127.89 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 1.3700000000000001 109.606 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.97 119.94 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.521 -0.737 . . . . 0.46999999999999997 109.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.8 145.98 38.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.376 -0.827 . . . . 2.1000000000000001 110.435 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 125.52 0.63 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.427 -1.069 . . . . 0.41999999999999998 110.427 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.46 -40.01 89.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -1.071 . . . . 2.6800000000000002 109.116 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.0 -40.96 91.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.09 -1.007 . . . . 2.2200000000000002 109.048 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.87 -39.96 93.71 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.639 -0.874 . . . . 2.77 108.639 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.06 -45.61 92.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.213 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -41.8 92.82 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 108.615 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 ttp -62.09 -49.94 73.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.38 -0.825 . . . . 0.44 109.08 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.5 -39.97 92.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.433 -0.792 . . . . 0.28999999999999998 109.075 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -54.52 -47.41 73.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 2.4399999999999999 108.797 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.72 88.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 1.74 108.883 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.68 -45.55 92.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 0.29999999999999999 109.121 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.04 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.811 . . . . 1.22 109.642 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.75 -39.95 95.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.369 -0.832 . . . . 1.72 109.534 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.82 -49.96 75.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.27000000000000002 109.669 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.28 -41.69 98.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.112 -0.993 . . . . 0.28999999999999998 109.613 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.15 -40.83 95.34 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.07 -1.019 . . . . 1.9099999999999999 109.045 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.26 -46.52 89.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.324 -0.86 . . . . 0.40999999999999998 108.856 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -59.98 -40.04 87.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.417 -0.802 . . . . 1.5600000000000001 109.386 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.97 -39.91 87.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.342 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.66 76.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.151 -0.968 . . . . 0.66000000000000003 109.32 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -72.94 -28.6 62.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 1.1799999999999999 109.442 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -66.99 -20.25 65.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 1.23 109.449 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.93 32.03 0.91 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.354 -1.499 . . . . 1.54 109.354 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 37' ' ' ALA . 88.4 tttt -83.71 131.44 34.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -1.075 . . . . 4.1799999999999997 109.655 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.36 149.74 57.85 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 5.71 108.957 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.19 153.14 28.02 Favored 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 120.862 1.041 . . . . 5.6100000000000003 109.736 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.384 -1.486 . . . . 7.2400000000000002 109.384 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' B' ' 3' ' ' LYS . 59.1 mttp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.785 -0.45 . . . . 7.3399999999999999 109.785 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 64.26 -49.12 0.29 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.849 -0.532 . . . . 7.1699999999999999 110.108 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 1' ' ' LYS . 81.8 mttt 49.33 67.57 4.35 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.954 -1.091 . . . . 6.4400000000000004 109.868 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.59 139.17 74.29 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.457 1.438 . . . . 4.54 109.757 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -78.8 144.19 35.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.178 -0.951 . . . . 4.3200000000000003 109.61 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -82.11 -9.27 59.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.245 -0.909 . . . . 2.4700000000000002 109.54 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.93 122.89 25.3 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.55 -1.42 . . . . 0.94999999999999996 109.55 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.79 139.99 58.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -1.073 . . . . 1.6100000000000001 109.962 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -95.35 145.58 25.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.287 -0.883 . . . . 0.56999999999999995 109.169 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.91 141.14 47.22 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.38 -0.825 . . . . 0.53000000000000003 109.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -88.77 156.11 19.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.367 -0.833 . . . . 0.38 108.833 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -146.61 131.5 18.1 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.995 -1.065 . . . . 0.35999999999999999 109.363 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.31 128.01 34.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.3600000000000001 109.438 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.03 121.05 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.526 -0.734 . . . . 0.48999999999999999 109.345 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -77.88 145.77 36.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 2.1000000000000001 110.58 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 125.86 0.68 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.38 -1.088 . . . . 0.44 110.38 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.57 -39.93 88.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -1.056 . . . . 2.7200000000000002 109.201 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.01 -40.87 90.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 2.21 109.079 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 44.0 ttm180 -61.98 -40.07 94.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.612 -0.885 . . . . 2.79 108.612 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.332 -0.855 . . . . 0.45000000000000001 109.312 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.86 -41.43 91.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.192 -0.943 . . . . 1.6799999999999999 108.662 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.9 ttp -62.4 -49.95 73.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.401 -0.812 . . . . 0.42999999999999999 108.901 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.46 -40.01 92.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.455 -0.778 . . . . 0.28000000000000003 109.146 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.46 -47.31 73.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 2.52 108.865 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -46.9 87.98 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.349 -0.844 . . . . 1.75 108.936 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.59 -45.66 91.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.292 -0.88 . . . . 0.31 109.051 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.97 -50.07 75.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.433 -0.792 . . . . 1.21 109.533 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.7 -40.0 95.78 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.612 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.81 -49.83 76.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 109.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.05 -42.31 99.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.098 -1.001 . . . . 0.29999999999999999 109.57 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.56 -40.59 92.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.083 -1.011 . . . . 1.9299999999999999 109.146 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.44 -46.62 89.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 0.40000000000000002 108.705 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.94 -40.02 87.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 1.5900000000000001 109.475 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.94 -40.09 87.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.872 . . . . 1.4299999999999999 109.489 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.21 77.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.286 -0.884 . . . . 0.65000000000000002 109.227 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -72.31 -29.03 63.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.263 -0.898 . . . . 1.1899999999999999 109.539 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.493 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -67.16 -20.14 65.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.949 . . . . 1.22 109.498 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.9 31.81 0.9 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.342 -1.503 . . . . 1.53 109.342 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' B' ' 37' ' ' ALA . 88.3 tttt -83.29 132.04 35.05 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -1.152 . . . . 4.21 109.618 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.71 149.95 60.55 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 108.971 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.11 152.34 30.91 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 120.866 1.044 . . . . 5.5700000000000003 109.693 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.335 -1.506 . . . . 7.2000000000000002 109.335 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' C' ' 3' ' ' LYS . 59.0 mttp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.539 -0.541 . . . . 8.9600000000000009 109.539 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 63.81 -49.22 0.26 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.039 0.447 . . . . 8.1500000000000004 110.082 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' C' ' 1' ' ' LYS . 82.5 mttt 49.77 67.71 4.17 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 7.1500000000000004 109.866 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.69 138.99 72.74 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 C-N-CA 121.367 1.378 . . . . 4.3499999999999996 109.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -78.74 143.83 35.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 4.6299999999999999 109.616 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -81.82 -8.27 59.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 2.8500000000000001 109.612 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.48 122.9 21.77 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.565 -1.414 . . . . 1.1200000000000001 109.565 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.52 140.03 58.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -1.112 . . . . 2.1099999999999999 109.883 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.82 145.67 25.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.395 -0.815 . . . . 0.64000000000000001 109.052 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -133.62 141.48 47.66 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.258 -0.901 . . . . 0.48999999999999999 110.034 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.2 p -88.71 155.5 19.55 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.776 -0.824 . . . . 0.46999999999999997 108.776 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.45 131.77 18.54 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 0.41999999999999998 109.252 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.61 127.98 34.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.325 -0.859 . . . . 1.8100000000000001 109.57 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.04 120.06 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.443 -0.785 . . . . 0.41999999999999998 109.551 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.99 146.17 37.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.347 -0.846 . . . . 2.3500000000000001 110.381 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.92 125.25 0.65 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.424 -1.07 . . . . 0.40999999999999998 110.424 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.33 -39.94 89.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.394 -1.062 . . . . 2.5899999999999999 109.144 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.02 -40.62 89.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 2.54 109.203 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.17 -40.02 94.59 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.174 -0.954 . . . . 3.3900000000000001 108.574 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.11 -45.56 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.371 -0.831 . . . . 0.46999999999999997 109.167 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.22 -0.925 . . . . 1.6599999999999999 108.668 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 31.3 ttp -62.06 -50.07 73.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.293 -0.879 . . . . 0.60999999999999999 109.015 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.41 -0.807 . . . . 0.33000000000000002 109.116 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -54.4 -47.17 73.04 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.18 -0.95 . . . . 3.2799999999999998 108.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -46.95 87.86 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.373 -0.83 . . . . 1.78 108.913 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.69 -45.44 92.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.38 109.017 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.08 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.422 -0.799 . . . . 1.2 109.466 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.64 -39.94 95.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.398 -0.814 . . . . 2.1200000000000001 109.674 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 0.26000000000000001 109.666 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -41.84 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.192 -0.942 . . . . 0.40000000000000002 109.628 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.25 -40.38 93.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.148 -0.97 . . . . 2.0899999999999999 109.031 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.39 -46.86 88.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 0.75 108.759 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.455 -0.778 . . . . 2.1899999999999999 109.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.881 . . . . 1.3400000000000001 109.374 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.57 76.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.323 -0.861 . . . . 0.71999999999999997 109.133 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -73.2 -27.69 61.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.363 -0.836 . . . . 1.8 109.489 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -67.83 -20.43 65.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 1.3899999999999999 109.368 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.52 31.68 0.85 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.375 -1.49 . . . . 1.6599999999999999 109.375 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' C' ' 37' ' ' ALA . 88.3 tttt -83.17 131.61 35.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -1.145 . . . . 4.4500000000000002 109.764 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -58.44 149.58 59.59 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.316 -0.865 . . . . 6.1900000000000004 108.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 151.43 35.7 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 120.937 1.091 . . . . 5.5800000000000001 109.758 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.028 -1.429 . . . . 6.9000000000000004 109.648 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' D' ' 3' ' ' LYS . 59.0 mttp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.694 -0.484 . . . . 7.3600000000000003 109.694 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 64.58 -48.74 0.32 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.808 -0.558 . . . . 7.1500000000000004 110.184 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' D' ' 1' ' ' LYS . 82.3 mttt 48.94 68.02 3.94 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.106 -0.996 . . . . 6.5 109.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.85 138.96 71.67 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.55 1.5 . . . . 4.5 109.821 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.8 143.3 36.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 4.3200000000000003 109.753 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -81.43 -8.04 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.389 -0.819 . . . . 2.46 109.662 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.67 122.65 20.6 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.529 -1.429 . . . . 0.96999999999999997 109.529 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 140.04 58.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.407 -1.055 . . . . 1.6699999999999999 109.899 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.49 145.53 25.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.415 -0.803 . . . . 0.60999999999999999 109.047 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.65 141.34 47.57 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.296 -0.877 . . . . 0.56000000000000005 109.935 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.64 156.32 19.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.303 -0.873 . . . . 0.42999999999999999 108.76 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -147.05 131.21 17.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 0.34999999999999998 109.253 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -84.13 127.72 34.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 1.3700000000000001 109.648 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 119.99 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.506 -0.746 . . . . 0.47999999999999998 109.346 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.84 145.99 38.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.322 -0.861 . . . . 2.0800000000000001 110.402 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 124.81 0.62 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.509 -1.036 . . . . 0.40000000000000002 110.509 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -66.0 -40.01 90.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -1.081 . . . . 2.6400000000000001 109.133 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.04 -40.58 89.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 2.2200000000000002 109.15 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -62.21 -39.98 94.58 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.195 -0.94 . . . . 2.7400000000000002 108.534 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -45.41 93.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.291 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -42.02 93.37 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 108.571 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 29.8 ttp -62.09 -49.96 73.86 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.448 -0.782 . . . . 0.42999999999999999 109.042 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.32 -39.93 92.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.27000000000000002 109.242 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.56 -47.23 73.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 2.4500000000000002 108.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.87 -47.2 86.72 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.35 -0.844 . . . . 1.75 108.96 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.73 -45.36 93.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.31 108.979 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.98 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.386 -0.821 . . . . 1.22 109.464 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -62.86 -40.03 96.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.469 -0.769 . . . . 1.73 109.684 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.89 -49.76 76.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.263 -0.898 . . . . 0.28000000000000003 109.757 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.23 -41.76 98.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.143 -0.973 . . . . 0.31 109.63 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.7 -41.24 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.176 -0.953 . . . . 1.9099999999999999 109.094 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -46.4 89.68 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.744 -0.835 . . . . 0.42999999999999999 108.744 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -60.04 -39.97 87.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 1.5700000000000001 109.328 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.3 m-20 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.293 -0.879 . . . . 1.4399999999999999 109.584 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.32 75.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.242 -0.912 . . . . 0.64000000000000001 109.321 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -73.19 -28.51 62.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 1.21 109.422 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -67.35 -20.51 65.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.155 -0.966 . . . . 1.22 109.417 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.64 31.92 0.86 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.452 -1.459 . . . . 1.5 109.452 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' D' ' 37' ' ' ALA . 88.3 tttt -83.46 132.76 34.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -1.14 . . . . 4.1799999999999997 109.669 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.93 149.29 74.01 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 5.6699999999999999 108.97 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -54.36 152.7 24.95 Favored 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 120.822 1.015 . . . . 5.6500000000000004 109.748 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 CA-C-O 117.987 -1.452 . . . . 7.2699999999999996 109.506 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.609 ' O ' ' N ' ' A' ' 3' ' ' LYS . 79.2 tttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.355 -0.609 . . . . 7.3300000000000001 109.355 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' LYS . 45.6 tttp 31.4 -82.8 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.061 0.458 . . . . 7.21 111.217 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 1' ' ' LYS . 58.3 tttm 52.8 70.82 1.66 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 6.4699999999999998 109.305 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -63.51 139.07 68.51 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 C-N-CA 121.635 1.557 . . . . 4.5300000000000002 109.883 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.1 64.58 5.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 4.3499999999999996 109.426 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.37 -141.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.718 -0.845 . . . . 2.48 108.718 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 148.62 50.7 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.905 -1.678 . . . . 0.97999999999999998 108.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 40.9 mp0 -60.84 139.98 57.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 1.7 109.345 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -94.15 142.98 26.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 109.594 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.08 139.57 43.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.448 -0.783 . . . . 0.57999999999999996 109.586 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -89.71 152.73 21.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 0.41999999999999998 108.799 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -147.64 130.18 15.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.987 -1.071 . . . . 0.35999999999999999 109.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.6 129.27 34.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 108.732 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.86 120.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.382 -0.824 . . . . 0.46999999999999997 110.007 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -78.22 141.85 38.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 2.1000000000000001 110.388 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.27 126.16 2.17 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.53 -1.028 . . . . 0.41999999999999998 110.53 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -66.97 -39.97 87.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.449 -1.03 . . . . 2.6800000000000002 109.429 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.67 91.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.44 -0.948 . . . . 2.2200000000000002 108.44 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.3 -42.37 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.429 -0.794 . . . . 2.77 108.911 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.97 -49.87 75.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.42999999999999999 109.105 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.02 -41.63 92.62 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.171 -0.955 . . . . 1.6599999999999999 108.596 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 62.9 ttp -63.32 -50.0 71.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.441 -0.787 . . . . 0.44 109.432 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.73 -41.82 99.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.427 -0.796 . . . . 0.28999999999999998 109.21 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.78 -43.72 90.5 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.318 -0.864 . . . . 2.4399999999999999 109.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.96 -47.55 85.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 1.74 109.446 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.16 -42.57 99.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.188 -0.945 . . . . 0.29999999999999999 109.614 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.15 -0.969 . . . . 1.22 109.141 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' HZ3' ' B' ' 33' ' ' LYS . 98.7 mt-10 -62.22 -40.05 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 1.72 109.702 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.0 -48.58 81.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -0.902 . . . . 0.27000000000000002 109.617 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.43 -43.37 98.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 0.28999999999999998 109.062 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -42.06 94.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.193 -0.942 . . . . 1.9099999999999999 108.878 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.04 -49.15 78.79 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.749 -0.834 . . . . 0.40999999999999998 108.749 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.96 -38.99 84.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 1.5600000000000001 109.286 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.83 -39.98 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.858 . . . . 1.4299999999999999 109.204 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 0.66000000000000003 108.486 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -72.5 -37.52 68.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.43 -0.794 . . . . 1.1799999999999999 108.905 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -69.3 -6.46 29.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 1.23 109.952 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.74 6.28 5.07 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.249 -1.54 . . . . 1.54 109.249 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 37' ' ' ALA . 28.2 tptp -85.52 141.23 30.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -1.098 . . . . 4.1799999999999997 109.299 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.0 149.4 55.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.252 -0.905 . . . . 5.71 108.931 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -54.93 157.26 13.46 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.003 1.135 . . . . 5.6100000000000003 109.709 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.332 -1.507 . . . . 7.2400000000000002 109.332 179.837 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' B' ' 3' ' ' LYS . 79.3 tttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.346 -0.613 . . . . 7.3399999999999999 109.346 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 1' ' ' LYS . 45.5 tttp 31.62 -82.47 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 CA-C-O 121.128 0.49 . . . . 7.1699999999999999 111.274 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' B' ' 1' ' ' LYS . 58.0 tttm 52.51 71.22 1.52 Allowed Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.066 -1.021 . . . . 6.4400000000000004 109.426 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 138.66 64.04 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 C-N-CA 121.626 1.55 . . . . 4.54 110.022 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 84.0 mt -80.93 65.33 6.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.333 -0.855 . . . . 4.3200000000000003 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -80.62 -143.64 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.275 -1.009 . . . . 2.4700000000000002 108.275 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 148.01 50.84 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.296 -1.522 . . . . 0.94999999999999996 109.296 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 39.8 mp0 -60.31 140.01 57.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -1.16 . . . . 1.6100000000000001 109.49 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.96 144.04 25.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.56999999999999995 109.575 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -137.35 139.26 40.7 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.355 -0.841 . . . . 0.53000000000000003 109.561 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -89.32 152.97 21.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.309 -0.869 . . . . 0.38 108.964 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 tp -147.8 130.62 16.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.119 -0.988 . . . . 0.35999999999999999 109.374 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.96 129.37 34.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 108.781 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.81 120.01 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.452 -0.78 . . . . 0.48999999999999999 110.015 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.45 142.63 37.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.397 -0.815 . . . . 2.1000000000000001 110.206 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 125.4 1.84 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.629 -0.988 . . . . 0.44 110.629 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.43 -39.9 89.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -1.077 . . . . 2.7200000000000002 109.379 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -45.23 93.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.133 -0.979 . . . . 2.21 108.502 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.66 -42.39 96.93 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.809 -0.811 . . . . 2.79 108.809 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.01 -49.72 76.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.45000000000000001 109.228 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.93 -41.62 92.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.095 -1.003 . . . . 1.6799999999999999 108.481 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.42 -50.01 71.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.33 -0.856 . . . . 0.42999999999999999 109.5 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.98 -40.94 99.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.28000000000000003 109.128 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -59.3 -44.07 92.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.316 -0.865 . . . . 2.52 109.001 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -47.3 86.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 1.75 109.573 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.21 -42.46 99.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.105 -0.997 . . . . 0.31 109.522 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 1.21 109.217 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.39 -39.97 94.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.545 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -60.04 -49.09 79.03 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.912 . . . . 0.27000000000000002 109.606 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 0.29999999999999999 108.955 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -42.07 93.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 108.877 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 -49.14 78.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 0.40000000000000002 108.861 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.408 ' HZ3' ' HB2' ' A' ' 28' ' ' GLU . 36.4 ttmt -60.01 -38.92 84.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.765 . . . . 1.5900000000000001 109.252 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.6 m-20 -58.62 -40.01 82.11 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.319 -0.863 . . . . 1.4299999999999999 109.329 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.99 96.07 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.083 -1.011 . . . . 0.65000000000000002 108.647 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -72.37 -37.82 68.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.374 -0.829 . . . . 1.1899999999999999 108.793 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -68.94 -6.44 27.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 1.22 109.874 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.24 5.03 5.49 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.21 -1.556 . . . . 1.53 109.21 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' B' ' 37' ' ' ALA . 28.1 tptp -84.53 141.26 30.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -1.087 . . . . 4.21 109.467 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.0 149.61 54.75 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 5.6799999999999997 108.878 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.22 156.54 16.37 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 120.968 1.112 . . . . 5.5700000000000003 109.933 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.5 -1.44 . . . . 7.2000000000000002 109.5 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' C' ' 3' ' ' LYS . 79.6 tttt . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.226 -0.657 . . . . 8.9600000000000009 109.226 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' C' ' 1' ' ' LYS . 45.7 tttp 31.38 -83.86 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 120.99 0.424 . . . . 8.1500000000000004 111.016 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' C' ' 1' ' ' LYS . 58.0 tttm 54.08 70.7 1.6 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.084 -1.01 . . . . 7.1500000000000004 109.244 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.74 138.43 63.84 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.623 1.549 . . . . 4.3499999999999996 109.917 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.59 65.51 5.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.281 -0.887 . . . . 4.6299999999999999 109.344 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.65 -141.34 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 2.8500000000000001 108.584 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.48 147.62 49.99 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.977 -1.649 . . . . 1.1200000000000001 108.977 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 39.9 mp0 -60.0 139.98 57.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.154 -1.204 . . . . 2.1099999999999999 109.611 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.01 143.35 26.43 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.444 -0.785 . . . . 0.64000000000000001 109.632 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -137.08 139.42 41.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.499 -0.751 . . . . 0.48999999999999999 109.471 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -89.19 153.16 21.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.35 -0.844 . . . . 0.46999999999999997 109.041 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -148.15 130.03 15.24 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.02 -1.05 . . . . 0.41999999999999998 109.417 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.45 129.28 34.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.86 . . . . 1.8100000000000001 108.785 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.76 120.04 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.516 -0.74 . . . . 0.41999999999999998 110.12 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.18 37.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.401 -0.812 . . . . 2.3500000000000001 110.274 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.1 126.18 2.12 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.562 -1.015 . . . . 0.40999999999999998 110.562 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -66.83 -40.08 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 2.5899999999999999 109.278 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.74 91.76 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.6 -0.889 . . . . 2.54 108.6 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.06 -42.48 94.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.823 -0.806 . . . . 3.3900000000000001 108.823 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.01 -49.94 75.68 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.251 -0.906 . . . . 0.46999999999999997 109.132 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -42.03 93.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.128 -0.982 . . . . 1.6599999999999999 108.368 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.6 ttp -62.72 -50.09 72.47 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.478 -0.764 . . . . 0.60999999999999999 109.574 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.03 -40.81 98.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.33000000000000002 109.238 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -59.32 -44.03 92.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.301 -0.874 . . . . 3.2799999999999998 109.033 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.35 86.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.407 -0.808 . . . . 1.78 109.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.33 -42.13 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.38 109.508 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 1.2 109.103 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.36 -40.05 95.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.469 -0.77 . . . . 2.1200000000000001 109.669 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.93 -49.84 76.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.278 -0.889 . . . . 0.26000000000000001 109.423 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.28 -43.72 95.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 0.40000000000000002 109.104 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -41.62 92.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.136 -0.977 . . . . 2.0899999999999999 108.858 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.21 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.398 -0.814 . . . . 0.75 108.915 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.416 ' HZ2' ' HG3' ' D' ' 25' ' ' GLU . 36.5 ttmt -59.94 -38.9 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 2.1899999999999999 109.274 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.8 -39.96 82.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 1.3400000000000001 109.114 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.14 96.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.105 -0.997 . . . . 0.71999999999999997 108.573 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -72.64 -37.54 67.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 1.8 108.851 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -68.86 -7.06 31.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.442 -0.786 . . . . 1.3899999999999999 109.786 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 5.01 5.03 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.353 -1.499 . . . . 1.6599999999999999 109.353 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 37' ' ' ALA . 28.2 tptp -84.55 140.85 31.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -1.118 . . . . 4.4500000000000002 109.476 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.68 149.75 50.49 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 6.1900000000000004 108.885 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.11 157.14 14.28 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 120.942 1.094 . . . . 5.5800000000000001 109.835 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.956 -1.469 . . . . 6.9000000000000004 109.492 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.613 ' O ' ' N ' ' D' ' 3' ' ' LYS . 79.4 tttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.678 -0.49 . . . . 7.3600000000000003 109.678 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' D' ' 1' ' ' LYS . 45.5 tttp 35.67 -83.08 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 120.919 0.39 . . . . 7.1500000000000004 110.807 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' D' ' 1' ' ' LYS . 59.0 tttm 52.54 70.58 1.8 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.059 . . . . 6.5 109.426 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.46 138.67 66.62 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 C-N-CA 121.651 1.567 . . . . 4.5 109.91 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.0 65.28 6.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 4.3200000000000003 109.428 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -80.35 -141.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.627 -0.879 . . . . 2.46 108.627 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.84 148.0 50.73 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.136 -1.586 . . . . 0.96999999999999997 109.136 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 39.5 mp0 -60.39 140.02 57.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.181 -1.188 . . . . 1.6699999999999999 109.385 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.06 143.58 26.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.60999999999999999 109.475 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -137.01 139.87 41.71 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.399 -0.813 . . . . 0.56000000000000005 109.544 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.74 152.98 21.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.42999999999999999 109.017 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.09 130.65 15.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.05 . . . . 0.34999999999999998 109.492 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.91 129.49 34.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 1.3700000000000001 108.676 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.98 119.99 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.404 -0.81 . . . . 0.47999999999999998 109.971 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.99 37.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.0800000000000001 110.162 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.24 125.67 1.79 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.654 -0.978 . . . . 0.40000000000000002 110.654 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -66.52 -40.02 88.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.415 -1.05 . . . . 2.6400000000000001 109.426 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -45.51 92.47 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 2.2200000000000002 108.475 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.404 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -60.43 -42.5 96.17 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.44 -0.787 . . . . 2.7400000000000002 108.928 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.97 -49.59 77.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.16 -0.963 . . . . 0.42999999999999999 109.119 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -42.34 93.56 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.414 -0.958 . . . . 1.6899999999999999 108.414 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -62.67 -49.93 73.19 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.547 -0.721 . . . . 0.42999999999999999 109.652 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.23 -40.72 98.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.27000000000000002 109.125 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.48 -43.87 93.18 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.247 -0.908 . . . . 2.4500000000000002 109.066 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HZ2' ' C' ' 33' ' ' LYS . 87.2 tt0 -60.07 -47.35 86.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.399 -0.813 . . . . 1.75 109.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -42.29 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.31 109.684 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.0 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.147 -0.971 . . . . 1.22 109.216 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.57 -39.97 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.506 -0.746 . . . . 1.73 109.647 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.58 -49.79 76.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.276 -0.89 . . . . 0.28000000000000003 109.333 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.28 -43.85 95.85 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.161 -0.962 . . . . 0.31 109.163 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.96 -41.96 93.06 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 1.9099999999999999 108.874 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -49.07 79.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.304 -0.873 . . . . 0.42999999999999999 108.82 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.94 -39.11 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.459 -0.776 . . . . 1.5700000000000001 109.232 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.92 -40.0 83.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.391 -0.818 . . . . 1.4399999999999999 109.316 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.1 96.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.64000000000000001 108.357 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -72.44 -37.93 68.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.887 -0.783 . . . . 1.21 108.887 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -68.86 -7.09 31.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.368 -0.832 . . . . 1.22 109.716 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.27 4.04 5.22 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.37 -1.492 . . . . 1.5 109.37 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' D' ' 37' ' ' ALA . 28.1 tptp -83.66 142.95 30.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -1.137 . . . . 4.1799999999999997 109.359 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -60.06 149.03 76.11 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 5.6699999999999999 108.911 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -54.37 156.81 12.93 Favored 'Trans proline' 0 C--N 1.324 -0.715 0 C-N-CA 120.991 1.127 . . . . 5.6500000000000004 109.788 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.011 -1.439 . . . . 7.2699999999999996 109.682 -179.875 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 56.9 tttp . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.969 -0.752 . . . . 7.3300000000000001 108.969 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 76.7 tttt 97.0 -5.08 0.06 Allowed 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 123.179 0.592 . . . . 7.21 109.872 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.4 mttt 43.77 67.81 3.53 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 6.4699999999999998 110.41 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.38 29.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.45 1.434 . . . . 4.5300000000000002 110.684 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 3' ' ' LYS . 74.8 mt -82.2 119.95 24.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.876 -1.14 . . . . 4.3499999999999996 108.917 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -79.82 152.03 29.96 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.18 -0.95 . . . . 2.48 109.674 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.68 146.48 45.33 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.488 -1.445 . . . . 0.97999999999999998 109.488 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.73 139.98 57.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -1.121 . . . . 1.7 109.541 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.28 147.57 30.08 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.441 -0.787 . . . . 0.60999999999999999 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -134.7 137.31 43.43 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 109.696 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -89.72 154.12 20.18 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.601 -0.889 . . . . 0.41999999999999998 108.601 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.12 132.99 18.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.925 -1.11 . . . . 0.35999999999999999 109.224 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.487 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.6 tt0 -84.23 128.8 34.8 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.272 -1.01 . . . . 1.3700000000000001 108.272 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.94 120.06 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.31 -0.869 . . . . 0.46999999999999997 109.468 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.09 148.52 36.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.492 -0.755 . . . . 2.1000000000000001 110.028 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.35 125.21 0.71 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.65 -0.98 . . . . 0.41999999999999998 110.65 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.74 -41.19 88.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -1.118 . . . . 2.6800000000000002 109.135 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.1 -42.06 93.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 2.2200000000000002 109.148 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.4 ttm180 -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.287 -0.883 . . . . 2.77 109.072 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.94 -49.5 77.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.437 -0.79 . . . . 0.42999999999999999 109.057 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.03 -40.89 90.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.6599999999999999 108.597 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.4 ttp -62.93 -49.26 75.47 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.423 -0.798 . . . . 0.44 108.993 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.51 -40.09 95.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.854 . . . . 0.28999999999999998 108.924 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.11 -44.6 91.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.293 -0.879 . . . . 2.4399999999999999 109.115 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.09 83.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.192 -0.943 . . . . 1.74 109.059 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.51 -44.64 96.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 0.29999999999999999 108.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.261 -0.899 . . . . 1.22 109.254 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.11 -41.06 96.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.206 -0.934 . . . . 1.72 109.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.1 -49.93 75.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.27000000000000002 109.658 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.8 -41.69 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.359 -0.838 . . . . 0.28999999999999998 109.525 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.04 -40.86 90.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -0.982 . . . . 1.9099999999999999 109.283 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.07 -48.85 79.99 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.266 -0.896 . . . . 0.40999999999999998 109.083 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.356 -0.84 . . . . 1.5600000000000001 109.422 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.56 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 99.2 m-20 -59.67 -39.17 83.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -0.789 . . . . 1.4299999999999999 109.593 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.74 86.76 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.274 -0.891 . . . . 0.66000000000000003 108.889 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.511 HE22 HD11 ' B' ' 32' ' ' LEU . 95.5 mt-30 -80.0 -12.92 59.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.114 -0.991 . . . . 1.1799999999999999 109.523 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.87 -11.99 60.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.241 -0.912 . . . . 1.23 109.368 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.14 -3.26 89.57 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.618 -1.393 . . . . 1.54 109.618 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -84.69 138.78 32.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.166 -1.197 . . . . 4.1799999999999997 109.126 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.01 148.53 60.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.289 -0.882 . . . . 5.71 109.419 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.13 166.67 3.01 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.053 1.169 . . . . 5.6100000000000003 109.488 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.936 -1.48 . . . . 7.2400000000000002 109.596 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' B' ' 2' ' ' LYS . 56.4 tttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.644 -0.873 . . . . 7.3399999999999999 108.644 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 1' ' ' LYS . 76.4 tttt 96.25 -5.28 0.07 Allowed 'General case' 0 N--CA 1.508 2.46 0 C-N-CA 123.041 0.536 . . . . 7.1699999999999999 109.935 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' B' ' 5' ' ' LEU . 89.0 mttt 43.65 67.85 3.47 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 120.958 -1.089 . . . . 6.4400000000000004 110.445 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.16 28.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 121.459 1.439 . . . . 4.54 110.817 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' B' ' 3' ' ' LYS . 75.4 mt -81.95 119.83 24.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.792 -1.193 . . . . 4.3200000000000003 109.017 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -79.74 153.01 29.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 2.4700000000000002 109.604 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.49 146.51 44.02 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.413 -1.475 . . . . 0.94999999999999996 109.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.51 139.95 57.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -1.122 . . . . 1.6100000000000001 109.523 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' TYR . . . . . 0.441 ' CB ' HE21 ' D' ' 13' ' ' GLN . 95.7 m-85 -107.61 147.12 31.06 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.602 -0.686 . . . . 0.56999999999999995 109.174 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -134.65 137.28 43.48 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.263 -0.898 . . . . 0.53000000000000003 109.967 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -89.66 153.58 20.62 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.641 -0.874 . . . . 0.38 108.641 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.92 132.58 17.85 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.036 -1.04 . . . . 0.35999999999999999 109.515 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.408 HE21 ' CB ' ' D' ' 9' ' ' TYR . 63.0 tt0 -83.63 129.04 34.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 1.3600000000000001 108.509 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.02 120.0 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.41 -0.806 . . . . 0.48999999999999999 109.419 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.11 149.04 35.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.432 -0.792 . . . . 2.1000000000000001 110.008 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 125.41 0.65 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.65 -0.98 . . . . 0.44 110.65 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.75 -41.21 88.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -1.079 . . . . 2.7200000000000002 109.129 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 2.21 109.202 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.7 ttm180 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.331 -0.856 . . . . 2.79 108.972 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.93 -49.62 76.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.536 -0.728 . . . . 0.45000000000000001 109.05 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.91 -41.39 91.59 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 1.6799999999999999 108.34 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.105 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.27 -39.99 94.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.42 -0.8 . . . . 0.28000000000000003 108.979 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.11 -44.44 91.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 2.52 109.092 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.29 82.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.253 -0.904 . . . . 1.75 108.996 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.53 -44.42 97.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.188 -0.945 . . . . 0.31 109.054 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.239 -0.913 . . . . 1.21 109.032 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.95 -41.28 96.01 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.313 -0.867 . . . . 1.6899999999999999 109.453 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.95 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.27000000000000002 109.754 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.29999999999999999 109.509 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.2 -40.6 90.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.378 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.511 HD11 HE22 ' A' ' 36' ' ' GLN . 59.0 tp -60.25 -48.88 79.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.343 -0.848 . . . . 0.40000000000000002 109.104 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.401 -0.812 . . . . 1.5900000000000001 109.356 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.5 m-20 -59.65 -39.07 83.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 1.4299999999999999 109.431 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.331 -0.855 . . . . 0.65000000000000002 109.173 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -79.93 -13.22 59.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.1899999999999999 109.442 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.0 -10.73 59.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 1.22 109.491 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.19 90.71 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.502 -1.439 . . . . 1.53 109.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -84.59 138.56 32.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.217 -1.167 . . . . 4.21 109.19 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.05 148.23 61.67 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 5.6799999999999997 109.391 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.08 165.76 3.73 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 120.962 1.108 . . . . 5.5700000000000003 109.551 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 118.028 -1.429 . . . . 7.2000000000000002 109.775 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' C' ' 2' ' ' LYS . 60.3 tttp . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.198 0.523 . . . . 8.9600000000000009 109.862 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' C' ' 1' ' ' LYS . 85.7 tttt 172.01 -4.8 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 105.447 -2.057 . . . . 8.1500000000000004 105.447 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' C' ' 5' ' ' LEU . 91.8 mttt 49.7 63.84 9.52 Favored Pre-proline 0 N--CA 1.486 1.331 0 CA-C-N 115.567 -0.742 . . . . 7.1500000000000004 109.124 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.48 27.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.32 -0.932 0 C-N-CA 121.423 1.415 . . . . 4.3499999999999996 110.371 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' C' ' 3' ' ' LYS . 73.8 mt -81.45 119.53 23.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.858 -1.151 . . . . 4.6299999999999999 108.966 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.74 151.79 30.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.158 -0.963 . . . . 2.8500000000000001 109.645 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.32 146.69 46.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.452 -1.459 . . . . 1.1200000000000001 109.452 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.73 139.99 57.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -1.133 . . . . 2.1099999999999999 109.561 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' TYR . . . . . 0.487 ' CB ' HE21 ' A' ' 13' ' ' GLN . 97.5 m-85 -107.26 147.26 30.43 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.432 -0.793 . . . . 0.64000000000000001 109.125 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.57 136.67 43.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.279 -0.888 . . . . 0.48999999999999999 109.929 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -89.37 153.75 20.61 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.653 -0.869 . . . . 0.46999999999999997 108.653 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.97 132.83 18.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.896 -1.127 . . . . 0.41999999999999998 109.335 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -83.85 128.94 34.9 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.308 -0.997 . . . . 1.8100000000000001 108.308 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -119.98 119.98 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.36 -0.838 . . . . 0.41999999999999998 109.544 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -77.39 148.81 35.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.394 -0.816 . . . . 2.3500000000000001 110.375 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.22 125.03 0.68 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.463 -1.055 . . . . 0.40999999999999998 110.463 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.49 -40.99 89.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -1.137 . . . . 2.5899999999999999 109.175 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.03 -42.43 94.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 2.54 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.56 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 41.7 ttm180 -60.73 -40.12 91.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.245 -0.91 . . . . 3.3900000000000001 108.952 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.97 -49.64 76.88 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.874 -0.787 . . . . 0.46999999999999997 108.874 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.98 -41.41 91.96 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.376 -0.972 . . . . 1.6599999999999999 108.376 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -62.17 -49.85 74.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.476 -0.765 . . . . 0.60999999999999999 109.042 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.2 -40.09 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.412 -0.805 . . . . 0.33000000000000002 109.005 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -58.74 -44.73 90.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.353 -0.842 . . . . 3.2799999999999998 109.203 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -48.05 83.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.255 -0.903 . . . . 1.78 109.048 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.38 109.032 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.98 -49.99 75.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 1.2 109.236 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.77 -41.1 94.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 2.1200000000000001 109.427 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.26000000000000001 109.859 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.74 -41.89 98.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.394 -0.816 . . . . 0.40000000000000002 109.464 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.02 -40.53 89.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.955 . . . . 2.0899999999999999 109.406 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' LEU . . . . . 0.428 HD11 HE22 ' D' ' 36' ' ' GLN . 58.8 tp -60.26 -48.93 79.65 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.88 . . . . 0.75 109.159 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -0.795 . . . . 2.1899999999999999 109.421 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 99.7 m-20 -59.74 -39.32 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.3400000000000001 109.471 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.65 86.37 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.166 -0.959 . . . . 0.71999999999999997 108.876 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' GLN . . . . . 0.41 HE22 HD11 ' D' ' 32' ' ' LEU . 95.5 mt-30 -80.0 -12.84 59.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 1.8 109.431 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.65 -12.24 60.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.994 . . . . 1.3899999999999999 109.402 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.82 -2.7 88.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.721 -1.351 . . . . 1.6599999999999999 109.721 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -84.5 139.41 32.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.14 -1.212 . . . . 4.4500000000000002 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.86 148.3 69.61 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.307 -0.87 . . . . 6.1900000000000004 109.337 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.14 165.9 3.68 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 120.916 1.077 . . . . 5.5800000000000001 109.466 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 117.979 -1.456 . . . . 6.9000000000000004 109.561 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' D' ' 2' ' ' LYS . 57.0 tttp . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.868 -0.79 . . . . 7.3600000000000003 108.868 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' D' ' 1' ' ' LYS . 76.6 tttt 96.32 -5.46 0.07 Allowed 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 123.021 0.529 . . . . 7.1500000000000004 109.862 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' D' ' 5' ' ' LEU . 88.5 mttt 43.65 67.64 3.64 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 6.5 110.413 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.87 28.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.316 -1.146 0 C-N-CA 121.489 1.459 . . . . 4.5 110.782 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 5' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' D' ' 3' ' ' LYS . 76.7 mt -81.88 120.14 24.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.858 -1.151 . . . . 4.3200000000000003 108.983 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -80.02 151.83 29.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.239 -0.913 . . . . 2.46 109.635 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.69 146.97 46.08 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.393 -1.483 . . . . 0.96999999999999997 109.393 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.96 139.96 57.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.343 -1.092 . . . . 1.6699999999999999 109.633 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.408 ' CB ' HE21 ' B' ' 13' ' ' GLN . 97.0 m-85 -107.66 147.54 30.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.505 -0.747 . . . . 0.60999999999999999 109.123 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.97 136.17 42.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.329 -0.857 . . . . 0.56000000000000005 109.955 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.95 152.85 21.47 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.576 -0.898 . . . . 0.42999999999999999 108.576 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -147.16 133.07 19.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.933 -1.104 . . . . 0.34999999999999998 109.356 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' GLN . . . . . 0.441 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.9 tt0 -84.32 129.13 34.9 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.381 -0.97 . . . . 1.3700000000000001 108.381 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.04 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.393 -0.817 . . . . 0.47999999999999998 109.499 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -77.18 148.22 36.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.539 -0.726 . . . . 2.0800000000000001 110.131 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 124.82 0.7 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.561 -1.016 . . . . 0.40000000000000002 110.561 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.02 -41.49 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -1.164 . . . . 2.6400000000000001 109.159 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.01 -42.22 93.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.148 -0.97 . . . . 2.2200000000000002 109.15 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.517 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 41.7 ttm180 -60.78 -40.04 91.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.232 -0.917 . . . . 2.7400000000000002 108.933 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.93 -49.86 76.02 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.484 -0.76 . . . . 0.42999999999999999 109.079 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.87 -41.36 91.34 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.44 -0.948 . . . . 1.6899999999999999 108.44 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.96 -50.06 73.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.489 -0.757 . . . . 0.42999999999999999 108.961 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.02 -40.06 94.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.348 -0.845 . . . . 0.27000000000000002 109.023 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.02 -44.36 91.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.313 -0.867 . . . . 2.4500000000000002 109.11 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.0 -48.69 80.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.892 . . . . 1.75 109.058 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.03 -44.65 97.09 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.187 -0.945 . . . . 0.31 109.104 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.349 -0.844 . . . . 1.22 109.225 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.88 -41.1 95.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.301 -0.874 . . . . 1.73 109.329 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.28000000000000003 109.713 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.93 -41.76 98.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.31 109.502 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.1 -40.95 91.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.957 . . . . 1.9099999999999999 109.322 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.41 HD11 HE22 ' C' ' 36' ' ' GLN . 59.8 tp -60.13 -48.86 79.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 109.099 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -60.0 -39.93 87.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.5700000000000001 109.466 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.511 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.6 m-20 -59.58 -39.1 83.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 1.4399999999999999 109.639 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.56 86.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.18 -0.95 . . . . 0.64000000000000001 109.003 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' GLN . . . . . 0.428 HE22 HD11 ' C' ' 32' ' ' LEU . 96.3 mt-30 -80.09 -12.6 59.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.141 -0.975 . . . . 1.21 109.451 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.32 60.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.123 -0.985 . . . . 1.22 109.325 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.82 -2.88 90.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.613 -1.395 . . . . 1.5 109.613 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.48 140.26 31.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -1.182 . . . . 4.1799999999999997 109.082 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.92 148.35 77.04 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.094 -1.003 . . . . 5.6699999999999999 109.607 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.43 166.36 2.6 Favored 'Trans proline' 0 C--O 1.215 -0.662 0 C-N-CA 120.945 1.097 . . . . 5.6500000000000004 109.602 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 CA-C-O 117.927 -1.485 . . . . 7.2699999999999996 109.586 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.284 0.564 . . . . 7.3300000000000001 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.9 -140.04 0.81 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 7.21 109.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 45.73 63.15 9.87 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.147 -0.97 . . . . 6.4699999999999998 109.997 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -86.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 121.426 1.417 . . . . 4.5300000000000002 109.683 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.2 mm? -80.39 125.06 29.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.837 -1.165 . . . . 4.3499999999999996 108.967 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.63 139.99 35.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.95 . . . . 2.48 109.199 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 138.66 31.37 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.527 -1.429 . . . . 0.97999999999999998 109.527 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.9 137.48 58.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.338 -1.095 . . . . 1.7 109.366 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.0 140.05 38.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.774 . . . . 0.60999999999999999 109.806 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -134.39 139.89 45.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.57999999999999996 109.174 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 p -87.85 158.16 18.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.86 . . . . 0.41999999999999998 108.77 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.8 126.94 12.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.35999999999999999 109.413 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.01 34.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 1.3700000000000001 108.399 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 119.95 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.424 -0.797 . . . . 0.46999999999999997 109.393 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.33 149.49 33.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 2.1000000000000001 110.101 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 117.6 0.91 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.03 -1.228 . . . . 0.41999999999999998 110.03 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 46.4 ttt-85 -62.45 -41.57 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -1.1 . . . . 2.6800000000000002 109.514 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.12 -40.56 90.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 2.2200000000000002 109.774 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -63.44 -39.93 95.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 2.77 109.582 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.22 -49.69 76.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.42999999999999999 109.387 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 17' ' ' ARG . 98.8 mt-10 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.097 -1.002 . . . . 1.6599999999999999 108.779 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.2 ttp -62.93 -52.13 64.24 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.279 -0.888 . . . . 0.44 109.448 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.08 -42.35 99.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.271 -0.893 . . . . 0.28999999999999998 108.88 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.593 -0.891 . . . . 2.4399999999999999 108.593 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.08 -49.72 76.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -0.832 . . . . 1.74 108.852 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.4 -45.15 94.62 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.925 . . . . 0.29999999999999999 108.501 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.94 -49.88 75.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.798 . . . . 1.22 109.193 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -39.9 93.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.502 -0.749 . . . . 1.72 109.829 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.64 -46.52 86.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.232 -0.917 . . . . 0.27000000000000002 109.29 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.45 -41.21 98.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.104 -0.997 . . . . 0.28999999999999998 108.865 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.22 -42.9 96.18 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.26 -0.9 . . . . 1.9099999999999999 108.916 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.15 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.498 -0.751 . . . . 0.40999999999999998 109.437 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.4 -43.64 98.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 1.5600000000000001 109.297 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.47 -0.769 . . . . 1.4299999999999999 110.01 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -0.937 . . . . 0.66000000000000003 109.642 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -83.04 -8.18 59.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.237 -0.915 . . . . 1.1799999999999999 109.907 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -23.05 63.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.23 110.204 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.87 98.19 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.817 -1.313 . . . . 1.54 109.817 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -87.36 142.78 27.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.125 -1.221 . . . . 4.1799999999999997 109.428 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 18.8 mp0 -57.32 148.39 53.58 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 5.71 109.015 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -57.13 147.85 73.08 Favored 'Trans proline' 0 C--N 1.324 -0.741 0 C-N-CA 120.963 1.109 . . . . 5.6100000000000003 109.706 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.941 -1.477 . . . . 7.2400000000000002 109.497 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.392 -0.596 . . . . 7.3399999999999999 109.392 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 49.89 -139.95 0.82 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 7.1699999999999999 109.266 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 46.27 63.02 10.39 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 6.4400000000000004 110.03 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -86.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 121.299 1.333 . . . . 4.54 109.682 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.39 124.83 29.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.809 -1.182 . . . . 4.3200000000000003 109.024 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.11 139.89 36.66 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -0.843 . . . . 2.4700000000000002 109.176 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.22 138.44 30.88 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.335 -1.506 . . . . 0.94999999999999996 109.335 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 137.37 58.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.27 -1.135 . . . . 1.6100000000000001 109.49 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.84 140.27 38.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.424 -0.798 . . . . 0.56999999999999995 109.88 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -134.77 139.28 45.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.431 -0.793 . . . . 0.53000000000000003 109.204 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.3 p -87.53 157.58 19.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 0.38 108.671 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 tp -147.45 126.84 13.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.955 -1.091 . . . . 0.35999999999999999 109.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.4 34.45 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.242 -1.021 . . . . 1.3600000000000001 108.242 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.06 120.09 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.48999999999999999 109.346 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.1 149.33 33.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.426 -0.796 . . . . 2.1000000000000001 109.928 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.97 117.33 0.95 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.134 -1.187 . . . . 0.44 110.134 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.44 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 45.3 ttt-85 -61.93 -42.29 98.94 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -1.175 . . . . 2.7200000000000002 109.684 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.12 -40.24 89.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.933 . . . . 2.21 109.726 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.425 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.6 ttm180 -63.65 -39.87 95.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.933 . . . . 2.79 109.664 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.13 -49.79 75.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.849 . . . . 0.45000000000000001 109.165 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.7 mt-10 -59.82 -40.76 89.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.071 -1.018 . . . . 1.6799999999999999 108.957 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 33.6 ttp -63.03 -51.46 66.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.42999999999999999 109.375 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -63.79 -42.71 97.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.28000000000000003 108.901 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.57 -43.43 93.6 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.28 -0.888 . . . . 2.52 108.645 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -49.51 77.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 1.75 108.822 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.0 -44.8 96.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.158 -0.963 . . . . 0.31 108.541 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.34 -49.96 75.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.815 . . . . 1.21 109.223 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.549 -0.719 . . . . 1.6899999999999999 109.629 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.2 -46.87 87.31 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.166 -0.959 . . . . 0.27000000000000002 109.409 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.75 -41.31 97.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 0.29999999999999999 108.755 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.69 94.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.9299999999999999 109.063 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.27 -50.08 75.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.40000000000000002 109.462 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.24 -43.95 98.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 1.5900000000000001 109.292 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.02 -40.19 88.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 1.4299999999999999 109.894 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.93 94.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 0.65000000000000002 109.636 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.2 -8.29 59.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 1.1899999999999999 109.71 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.31 63.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.985 . . . . 1.22 110.152 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.04 98.25 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.703 -1.359 . . . . 1.53 109.703 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.43 143.41 27.8 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.21 -1.171 . . . . 4.21 109.534 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' B' ' 40' ' ' GLU . 19.8 mp0 -58.18 148.28 62.75 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 5.6799999999999997 108.811 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -57.39 145.32 88.52 Favored 'Trans proline' 0 C--N 1.321 -0.872 0 C-N-CA 120.87 1.047 . . . . 5.5700000000000003 109.754 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.481 -1.447 . . . . 7.2000000000000002 109.481 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.166 0.508 . . . . 8.9600000000000009 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 50.05 -140.11 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.18 -0.95 . . . . 8.1500000000000004 109.238 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 46.1 62.97 10.37 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 120.976 -1.078 . . . . 7.1500000000000004 110.09 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.9 -86.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.33 1.354 . . . . 4.3499999999999996 109.738 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.402 HD22 ' N ' ' C' ' 5' ' ' LEU . 4.2 mm? -80.23 124.95 29.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.884 -1.135 . . . . 4.6299999999999999 108.93 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.28 139.97 36.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.201 -0.937 . . . . 2.8500000000000001 109.212 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.16 137.98 30.36 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.369 -1.492 . . . . 1.1200000000000001 109.369 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 137.75 58.1 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.256 -1.143 . . . . 2.1099999999999999 109.356 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.3 140.31 38.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.405 -0.809 . . . . 0.64000000000000001 109.779 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -134.84 139.0 44.72 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.353 -0.842 . . . . 0.48999999999999999 109.282 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -87.23 158.2 19.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.888 . . . . 0.46999999999999997 108.728 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 tp -147.79 127.54 13.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.102 -0.999 . . . . 0.41999999999999998 109.181 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -87.46 125.95 34.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.328 -0.99 . . . . 1.8100000000000001 108.328 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.93 119.96 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.392 -0.817 . . . . 0.41999999999999998 109.525 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -78.13 147.39 34.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 2.3500000000000001 110.29 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.36 118.24 1.23 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.834 -1.306 . . . . 0.40999999999999998 109.834 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.484 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 43.1 ttt-85 -63.21 -40.55 97.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -1.114 . . . . 2.5899999999999999 109.695 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.3 -40.43 94.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.174 -0.954 . . . . 2.54 109.559 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.36 -39.77 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 3.3900000000000001 109.508 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.37 -49.76 76.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.255 -0.903 . . . . 0.46999999999999997 109.114 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' GLU . . . . . 0.484 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 99.0 mt-10 -59.93 -40.72 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.939 -1.101 . . . . 1.6599999999999999 109.064 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.0 ttp -62.87 -51.06 68.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.60999999999999999 109.448 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.14 -42.69 96.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.28 -0.888 . . . . 0.33000000000000002 108.826 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.59 -43.07 93.8 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 108.732 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.6 77.03 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.362 -0.836 . . . . 1.78 108.794 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.66 -44.93 95.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 0.38 108.587 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.06 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.38 -0.825 . . . . 1.2 109.246 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.8 -39.97 93.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.411 -0.805 . . . . 2.1200000000000001 109.767 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.84 -46.81 86.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.189 -0.945 . . . . 0.26000000000000001 109.242 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.19 -41.39 98.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.071 -1.018 . . . . 0.40000000000000002 108.828 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.39 -42.65 96.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 2.0899999999999999 108.789 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.498 -0.751 . . . . 0.75 109.508 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -61.48 -43.7 98.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 2.1899999999999999 109.389 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.03 -40.08 88.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 110.087 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.79 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.247 -0.908 . . . . 0.71999999999999997 109.578 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.34 -8.01 59.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 1.8 109.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.45 63.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 1.3899999999999999 110.167 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.96 -41.99 98.11 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.82 -1.312 . . . . 1.6599999999999999 109.82 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.78 143.59 27.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -1.16 . . . . 4.4500000000000002 109.516 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.582 ' H ' ' CD ' ' C' ' 40' ' ' GLU . 16.6 mp0 -57.63 148.21 57.55 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 6.1900000000000004 108.982 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.12 145.97 83.59 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 120.854 1.036 . . . . 5.5800000000000001 109.69 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.296 -1.522 . . . . 6.9000000000000004 109.296 179.814 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.319 0.58 . . . . 7.3600000000000003 109.522 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 50.03 -140.01 0.82 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 7.1500000000000004 109.319 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 46.28 63.08 10.3 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.049 -1.032 . . . . 6.5 110.105 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -86.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.3 1.334 . . . . 4.5 109.711 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.04 124.76 29.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.865 -1.147 . . . . 4.3200000000000003 109.091 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -80.2 139.61 36.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -0.974 . . . . 2.46 109.328 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 138.31 31.86 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.347 -1.501 . . . . 0.96999999999999997 109.347 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.77 136.82 58.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -1.167 . . . . 1.6699999999999999 109.51 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.39 140.66 37.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.364 -0.835 . . . . 0.60999999999999999 109.902 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.85 139.83 45.35 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.405 -0.81 . . . . 0.56000000000000005 109.205 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -87.92 157.71 18.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 108.704 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.87 126.7 12.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.34999999999999998 109.373 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.54 126.36 34.41 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.347 -0.982 . . . . 1.3700000000000001 108.347 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.12 119.95 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.394 -0.816 . . . . 0.47999999999999998 109.446 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -77.87 149.94 34.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 2.0800000000000001 110.04 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 117.74 0.84 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.155 -1.178 . . . . 0.40000000000000002 110.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.489 ' NH1' ' OE2' ' D' ' 21' ' ' GLU . 46.0 ttt-85 -61.97 -42.2 98.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -1.102 . . . . 2.6400000000000001 109.667 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.03 -40.09 88.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.751 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -63.96 -39.29 93.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.288 -0.882 . . . . 2.7400000000000002 109.507 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.76 -49.73 76.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.414 -0.804 . . . . 0.42999999999999999 109.348 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.489 ' OE2' ' NH1' ' D' ' 17' ' ' ARG . 98.9 mt-10 -59.88 -40.28 88.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.056 -1.027 . . . . 1.6899999999999999 108.819 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 31.1 ttp -63.38 -52.41 61.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.227 -0.92 . . . . 0.42999999999999999 109.534 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -63.11 -42.32 99.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.27000000000000002 108.887 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.8 -43.24 94.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.231 -0.918 . . . . 2.4500000000000002 108.703 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.82 76.15 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.28 -0.888 . . . . 1.75 108.849 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -44.63 96.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.237 -0.914 . . . . 0.31 108.544 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.1 -49.97 75.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.442 -0.786 . . . . 1.22 109.231 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.58 -39.83 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 1.73 109.946 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.09 -46.61 87.86 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.217 -0.927 . . . . 0.28000000000000003 109.509 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.082 -1.011 . . . . 0.31 108.736 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.5 -42.67 96.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.344 -0.848 . . . . 1.9099999999999999 108.913 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.11 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.42999999999999999 109.568 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.4 -43.7 98.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 1.5700000000000001 109.229 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.425 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 94.3 m-20 -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 110.039 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.0 94.16 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.067 -1.021 . . . . 0.64000000000000001 109.739 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -83.07 -8.07 59.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 1.21 109.839 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.4 63.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 1.22 110.087 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -41.73 97.87 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.778 -1.329 . . . . 1.5 109.778 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.82 144.69 26.92 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.172 -1.193 . . . . 4.1799999999999997 109.315 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' D' ' 40' ' ' GLU . 19.3 mp0 -59.92 148.05 77.83 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 5.6699999999999999 108.947 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -56.76 146.28 78.47 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 121.06 1.174 . . . . 5.6500000000000004 109.724 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.905 -1.497 . . . . 7.2699999999999996 109.747 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.4 mttp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.406 -0.591 . . . . 7.3300000000000001 109.406 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 50.98 57.23 6.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 7.21 109.296 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.4 mttt 54.08 69.79 2.01 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 6.4699999999999998 109.461 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.31 87.92 0.2 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.583 1.522 . . . . 4.5300000000000002 110.006 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.53 10.06 9.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.178 -0.951 . . . . 4.3499999999999996 109.594 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.86 159.98 32.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.187 -0.946 . . . . 2.48 109.83 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.03 158.69 51.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.991 -1.244 . . . . 0.97999999999999998 109.991 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.12 140.03 57.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -1.014 . . . . 1.7 110.133 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.409 -0.807 . . . . 0.60999999999999999 109.0 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.21 140.28 51.54 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 110.217 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -90.02 151.86 21.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.372 -0.83 . . . . 0.41999999999999998 108.858 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -146.68 134.05 20.72 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.027 -1.046 . . . . 0.35999999999999999 109.816 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.07 34.91 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.718 -0.845 . . . . 1.3700000000000001 108.718 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.1 121.3 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.472 -0.767 . . . . 0.46999999999999997 109.964 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.24 146.97 38.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.569 -0.707 . . . . 2.1000000000000001 110.394 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.58 125.32 0.62 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.671 -0.972 . . . . 0.41999999999999998 110.671 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -65.22 -43.02 92.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.357 -1.084 . . . . 2.6800000000000002 109.459 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.05 -40.06 88.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.037 . . . . 2.2200000000000002 109.616 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.3 ttm180 -61.33 -40.0 92.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.206 -0.934 . . . . 2.77 108.819 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.1 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.42999999999999999 109.541 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.56 -42.09 91.65 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 1.6599999999999999 108.896 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 43.2 ttp -62.89 -49.7 73.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.337 -0.852 . . . . 0.44 109.269 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.71 -39.97 90.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.28999999999999998 109.247 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -57.59 -47.04 83.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.207 -0.933 . . . . 2.4399999999999999 108.714 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -45.36 93.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.226 -0.921 . . . . 1.74 109.325 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.09 -43.33 98.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 0.29999999999999999 110.035 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -59.96 -49.98 75.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 1.22 109.409 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -62.24 -39.96 94.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.464 -0.773 . . . . 1.72 109.513 179.679 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.26 74.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.921 . . . . 0.27000000000000002 109.667 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.39 -43.05 98.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.28999999999999998 109.438 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' HH12 ' C' ' 19' ' ' ARG . 43.4 mt-10 -60.78 -40.07 91.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.95 . . . . 1.9099999999999999 109.438 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.44 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.322 -0.862 . . . . 0.40999999999999998 109.283 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.65 -49.53 76.16 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.34 -0.85 . . . . 1.5600000000000001 109.52 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.427 -0.796 . . . . 1.4299999999999999 109.838 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.4 66.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.999 . . . . 0.66000000000000003 109.675 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.513 ' NE2' ' OE1' ' B' ' 36' ' ' GLN . 94.3 mt-30 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 1.1799999999999999 109.484 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -71.04 -7.66 47.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 1.23 109.682 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.09 3.97 3.75 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.617 -1.393 . . . . 1.54 109.617 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.3 tttm -84.18 132.09 34.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.137 -1.213 . . . . 4.1799999999999997 109.258 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -55.03 133.88 67.9 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 5.71 108.871 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.07 136.63 75.96 Favored 'Trans proline' 0 C--O 1.214 -0.701 0 N-CA-C 109.686 -0.928 . . . . 5.6100000000000003 109.686 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 117.929 -1.484 . . . . 7.2400000000000002 109.448 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.568 -0.53 . . . . 7.3399999999999999 109.568 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 51.2 56.68 7.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 7.1699999999999999 109.43 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 72.8 mttt 54.51 69.47 2.09 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.288 -0.883 . . . . 6.4400000000000004 109.383 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.56 88.31 0.17 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.501 1.468 . . . . 4.54 110.122 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.83 9.83 11.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.231 -0.918 . . . . 4.3200000000000003 109.659 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.24 159.84 31.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 2.4700000000000002 109.893 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.05 159.67 49.36 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.074 -1.21 . . . . 0.94999999999999996 110.074 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.24 139.95 58.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.502 -0.999 . . . . 1.6100000000000001 110.05 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -96.74 145.21 26.01 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.362 -0.836 . . . . 0.56999999999999995 109.021 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.9 140.18 51.79 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 0.53000000000000003 110.255 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -89.92 151.9 21.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.405 -0.81 . . . . 0.38 108.883 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -146.54 133.8 20.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.958 -1.089 . . . . 0.35999999999999999 109.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -84.12 128.94 34.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.764 -0.828 . . . . 1.3600000000000001 108.764 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.05 121.12 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.398 -0.814 . . . . 0.48999999999999999 110.214 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.26 147.41 38.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.52 -0.737 . . . . 2.1000000000000001 110.353 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.47 124.8 0.58 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.69 -0.964 . . . . 0.44 110.69 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -64.6 -43.41 93.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -1.084 . . . . 2.7200000000000002 109.521 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -0.99 . . . . 2.21 109.639 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.06 92.27 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 2.79 108.941 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.91 -49.04 79.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.45000000000000001 109.605 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.94 -42.75 90.51 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.139 -0.976 . . . . 1.6799999999999999 108.892 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 43.2 ttp -62.27 -50.02 73.35 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.272 -0.892 . . . . 0.42999999999999999 109.433 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.19 -40.09 88.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.28000000000000003 109.199 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -58.08 -46.79 84.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.296 -0.877 . . . . 2.52 108.767 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.17 -45.33 93.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.203 -0.936 . . . . 1.75 109.186 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.38 -43.02 98.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.31 110.055 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -60.03 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.084 -1.01 . . . . 1.21 109.23 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -62.23 -39.97 94.58 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.66 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.09 75.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.209 -0.932 . . . . 0.27000000000000002 109.689 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.48 -43.06 98.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.368 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.419 ' CG ' HH12 ' D' ' 19' ' ' ARG . 42.7 mt-10 -60.59 -40.23 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 1.9299999999999999 109.474 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.05 -49.95 75.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.309 -0.869 . . . . 0.40000000000000002 109.344 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.62 -49.43 76.6 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.403 -0.81 . . . . 1.5900000000000001 109.556 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.525 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.7 m-20 -60.01 -40.25 88.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.365 -0.834 . . . . 1.4299999999999999 110.045 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.84 68.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.116 -0.99 . . . . 0.65000000000000002 109.626 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.513 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 27.5 mt-30 -73.37 -39.66 64.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 1.1899999999999999 109.655 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -71.42 -7.92 50.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.335 -0.853 . . . . 1.22 109.669 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.67 3.93 3.36 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.628 -1.389 . . . . 1.53 109.628 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' B' ' 37' ' ' ALA . 64.5 tttm -84.19 131.59 34.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.161 -1.199 . . . . 4.21 109.425 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.82 133.85 66.06 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 108.837 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.01 136.52 75.29 Favored 'Trans proline' 0 C--O 1.216 -0.609 0 N-CA-C 109.76 -0.9 . . . . 5.5700000000000003 109.76 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 118.01 -1.439 . . . . 7.2000000000000002 109.508 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.457 -0.571 . . . . 8.9600000000000009 109.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 50.76 56.77 7.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 8.1500000000000004 109.398 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 54.66 69.8 1.93 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 7.1500000000000004 109.356 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.18 88.2 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 121.595 1.53 . . . . 4.3499999999999996 110.052 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.79 10.01 10.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.253 -0.904 . . . . 4.6299999999999999 109.555 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -73.94 159.79 32.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.076 -1.015 . . . . 2.8500000000000001 109.937 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 159.01 51.02 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.123 -1.191 . . . . 1.1200000000000001 110.123 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.38 140.01 57.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.393 -1.063 . . . . 2.1099999999999999 109.918 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.83 146.79 24.58 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.438 -0.789 . . . . 0.64000000000000001 108.872 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.66 140.05 50.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.245 -0.909 . . . . 0.48999999999999999 110.079 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -89.81 151.8 21.6 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.875 -0.787 . . . . 0.46999999999999997 108.875 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.45 133.88 20.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.051 -1.031 . . . . 0.41999999999999998 109.738 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -83.86 129.35 34.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.655 -0.869 . . . . 1.8100000000000001 108.655 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.44 121.36 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.389 -0.82 . . . . 0.41999999999999998 110.044 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -76.57 147.53 37.61 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.537 -0.727 . . . . 2.3500000000000001 110.332 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.28 125.67 0.6 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.679 -0.968 . . . . 0.40999999999999998 110.679 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.5 -43.07 91.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -1.075 . . . . 2.5899999999999999 109.426 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.2 -40.11 88.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 2.54 109.602 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 40.8 ttm180 -61.09 -39.98 92.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.207 -0.933 . . . . 3.3900000000000001 108.978 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -60.1 -48.67 80.75 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.46999999999999997 109.62 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.22 -42.26 90.56 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.114 -0.991 . . . . 1.6599999999999999 108.946 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 44.8 ttp -62.95 -49.67 73.83 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.358 -0.839 . . . . 0.60999999999999999 109.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.5 -40.02 89.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.335 -0.853 . . . . 0.33000000000000002 109.091 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -58.09 -46.48 85.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.317 -0.865 . . . . 3.2799999999999998 108.809 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -45.57 92.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 1.78 109.263 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.19 -42.81 99.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.38 110.071 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -59.98 -50.06 75.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.017 -1.052 . . . . 1.2 109.318 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -62.26 -40.02 94.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 2.1200000000000001 109.545 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.485 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.54 -50.45 73.75 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.28 -0.888 . . . . 0.26000000000000001 109.724 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.153 -0.967 . . . . 0.40000000000000002 109.412 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.47 ' CG ' HH12 ' A' ' 19' ' ' ARG . 42.8 mt-10 -60.61 -40.26 91.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 2.0899999999999999 109.493 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.13 -49.99 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.75 109.334 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.65 -49.32 77.03 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.476 -0.765 . . . . 2.1899999999999999 109.582 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.2 m-20 -60.14 -40.51 90.08 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 1.3400000000000001 110.084 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.76 69.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.166 -0.959 . . . . 0.71999999999999997 109.622 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' GLN . . . . . 0.441 ' CD ' HE22 ' D' ' 36' ' ' GLN . 27.5 mt-30 -73.22 -40.0 65.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.211 -0.931 . . . . 1.8 109.636 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -71.15 -7.15 44.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.381 -0.824 . . . . 1.3899999999999999 109.662 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.54 4.52 3.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.448 -1.461 . . . . 1.6599999999999999 109.448 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' C' ' 37' ' ' ALA . 64.5 tttm -84.53 131.88 34.59 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 4.4500000000000002 109.354 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -55.1 133.93 68.29 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 6.1900000000000004 108.755 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -55.85 137.48 78.82 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 N-CA-C 109.764 -0.898 . . . . 5.5800000000000001 109.764 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 117.955 -1.469 . . . . 6.9000000000000004 109.474 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.522 -0.547 . . . . 7.3600000000000003 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 50.87 56.91 7.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.146 -0.971 . . . . 7.1500000000000004 109.474 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 54.08 69.81 2.0 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 6.5 109.398 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.22 88.2 0.19 Allowed 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.573 1.515 . . . . 4.5 110.076 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.52 9.94 10.15 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.193 -0.942 . . . . 4.3200000000000003 109.651 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.96 160.0 31.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 2.46 109.924 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.92 159.2 51.22 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.116 -1.194 . . . . 0.96999999999999997 110.116 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.21 140.01 57.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.466 -1.02 . . . . 1.6699999999999999 110.096 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.12 144.95 26.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 109.086 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.88 140.05 51.86 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.3 -0.875 . . . . 0.56000000000000005 110.258 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -89.84 152.17 21.4 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.92 -0.77 . . . . 0.42999999999999999 108.92 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -146.81 133.98 20.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.964 -1.085 . . . . 0.34999999999999998 109.829 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.06 34.91 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.632 -0.877 . . . . 1.3700000000000001 108.632 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.06 121.42 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.379 -0.825 . . . . 0.47999999999999998 110.216 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -76.33 147.66 37.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.518 -0.739 . . . . 2.0800000000000001 110.367 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.16 125.5 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.717 -0.953 . . . . 0.40000000000000002 110.717 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.3 -43.18 91.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -1.108 . . . . 2.6400000000000001 109.473 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.01 -40.17 88.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 109.725 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.525 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.0 92.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.156 -0.965 . . . . 2.7400000000000002 108.94 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.99 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.342 -0.848 . . . . 0.42999999999999999 109.437 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.09 -42.64 90.92 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.139 -0.975 . . . . 1.6899999999999999 108.846 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 44.7 ttp -62.72 -49.46 74.95 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.267 -0.895 . . . . 0.42999999999999999 109.351 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.7 -39.99 90.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.27000000000000002 109.164 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -58.12 -46.54 85.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.296 -0.877 . . . . 2.4500000000000002 108.774 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.14 -45.77 91.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.838 . . . . 1.75 109.333 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.26 -42.7 99.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.31 110.04 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.16 -49.92 75.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.034 -1.041 . . . . 1.22 109.351 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' D' ' 28' ' ' GLU . 0.3 OUTLIER -62.51 -39.98 95.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.49 -0.756 . . . . 1.73 109.467 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.485 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.71 -50.01 75.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.28000000000000003 109.665 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -42.48 97.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.195 -0.94 . . . . 0.31 109.457 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.24 -40.01 92.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.9099999999999999 109.415 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.07 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.42999999999999999 109.254 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.61 -49.52 76.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.451 -0.781 . . . . 1.5700000000000001 109.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.2 m-20 -60.01 -39.99 87.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.41 -0.806 . . . . 1.4399999999999999 110.007 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.14 67.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.949 . . . . 0.64000000000000001 109.527 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' GLN . . . . . 0.441 HE22 ' CD ' ' C' ' 36' ' ' GLN . 93.9 mt-30 -73.07 -40.0 65.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.312 -0.868 . . . . 1.21 109.591 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -71.05 -7.42 46.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 1.22 109.549 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.09 3.76 3.9 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.58 -1.408 . . . . 1.5 109.58 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' D' ' 37' ' ' ALA . 64.4 tttm -83.95 133.14 34.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -1.151 . . . . 4.1799999999999997 109.32 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.4 134.92 76.37 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 5.6699999999999999 108.838 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -56.64 134.3 63.52 Favored 'Trans proline' 0 C--O 1.215 -0.627 0 N-CA-C 109.729 -0.912 . . . . 5.6500000000000004 109.729 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.422 -1.471 . . . . 7.2699999999999996 109.422 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 3' ' ' LYS . 67.6 mttm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.622 0.248 . . . . 7.3300000000000001 110.785 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 3' ' ' LYS . 98.5 mttt 49.72 -12.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.17 0.804 . . . . 7.21 113.17 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.633 ' N ' ' O ' ' A' ' 1' ' ' LYS . 93.8 mttt 42.98 70.36 1.85 Allowed Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.522 -1.361 . . . . 6.4699999999999998 110.762 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -57.59 171.18 1.5 Allowed 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.221 1.281 . . . . 4.5300000000000002 109.738 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.67 123.59 28.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.189 -0.944 . . . . 4.3499999999999996 109.772 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.02 170.59 16.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.586 -0.696 . . . . 2.48 109.15 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -64.94 143.07 45.98 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.13 -1.588 . . . . 0.97999999999999998 109.13 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.01 137.88 57.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.323 -1.104 . . . . 1.7 110.055 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 97.2 m-85 -110.65 141.51 43.78 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 109.051 -0.722 . . . . 0.60999999999999999 109.051 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -133.48 139.55 46.73 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.938 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.8 p -89.0 155.4 19.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.36 -0.838 . . . . 0.41999999999999998 108.798 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -147.15 129.91 16.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.964 -1.085 . . . . 0.35999999999999999 109.534 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -83.03 128.37 34.41 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.749 -0.834 . . . . 1.3700000000000001 108.749 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.98 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.489 -0.757 . . . . 0.46999999999999997 109.603 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -75.73 147.42 39.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 2.1000000000000001 110.018 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.05 121.9 0.52 Allowed Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.346 -1.102 . . . . 0.41999999999999998 110.346 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' A' ' 17' ' ' ARG . 34.5 ttt-85 -64.49 -40.83 96.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.112 . . . . 2.6800000000000002 109.605 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.76 -40.68 93.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 2.2200000000000002 109.141 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.28 -40.05 89.05 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.909 -0.775 . . . . 2.77 108.909 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.23 -49.22 78.69 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.41 -0.806 . . . . 0.42999999999999999 109.32 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.3 88.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.978 -1.076 . . . . 1.6599999999999999 108.639 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.85 -49.92 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 0.44 108.761 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.77 -40.02 96.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.673 -0.862 . . . . 0.28999999999999998 108.673 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 24' ' ' ARG . 22.3 ttt-85 -56.89 -46.59 81.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.418 -0.801 . . . . 2.4399999999999999 109.041 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.95 -47.99 83.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.296 -0.878 . . . . 1.74 108.891 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.98 -45.9 91.59 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.305 -0.872 . . . . 0.29999999999999999 108.929 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.92 -50.1 75.1 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.301 -0.875 . . . . 1.22 109.635 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.34 -39.94 94.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 1.72 109.549 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.29 82.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.186 -0.946 . . . . 0.27000000000000002 109.336 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.124 -0.985 . . . . 0.28999999999999998 109.24 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -41.69 93.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 1.9099999999999999 109.232 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.28 -44.15 97.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.326 -0.991 . . . . 0.40999999999999998 108.326 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HZ1' ' CD ' ' B' ' 28' ' ' GLU . 20.0 ttmm -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.031 -0.729 . . . . 1.5600000000000001 109.031 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.0 -39.96 87.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.104 -0.997 . . . . 1.4299999999999999 108.991 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.93 93.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.332 -0.855 . . . . 0.66000000000000003 108.946 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -71.07 -35.12 71.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.343 -0.848 . . . . 1.1799999999999999 109.57 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -6.33 18.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.331 -0.856 . . . . 1.23 109.67 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -1.31 85.76 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.057 -1.617 . . . . 1.54 109.057 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.13 151.85 25.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.405 -1.056 . . . . 4.1799999999999997 109.164 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.8 mp0 -57.54 149.29 51.44 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.135 -0.978 . . . . 5.71 109.225 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -53.98 135.86 64.93 Favored 'Trans proline' 0 C--N 1.323 -0.769 0 C-N-CA 121.116 1.211 . . . . 5.6100000000000003 109.935 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 117.974 -1.459 . . . . 7.2400000000000002 109.725 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' B' ' 3' ' ' LYS . 67.5 mttm . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.647 0.261 . . . . 7.3399999999999999 110.653 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' LYS . 98.4 mttt 49.83 -12.24 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.116 0.784 . . . . 7.1699999999999999 113.116 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 1' ' ' LYS . 95.7 mttt 42.63 70.27 1.85 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.533 -1.355 . . . . 6.4400000000000004 110.837 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -57.38 171.42 1.3 Allowed 'Trans proline' 0 C--N 1.316 -1.132 0 C-N-CA 121.183 1.255 . . . . 4.54 109.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.66 123.48 28.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.172 -0.955 . . . . 4.3200000000000003 109.969 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -80.71 168.21 19.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.416 -0.803 . . . . 2.4700000000000002 109.329 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.455 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -61.34 142.64 48.44 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.415 -1.474 . . . . 0.94999999999999996 109.415 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.17 138.12 57.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -1.152 . . . . 1.6100000000000001 109.92 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 97.4 m-85 -110.68 141.99 43.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.6 -0.688 . . . . 0.56999999999999995 109.204 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.28 139.08 45.47 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.243 -0.91 . . . . 0.53000000000000003 109.997 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -89.3 154.98 19.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.882 . . . . 0.38 108.658 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.8 tp -146.66 130.28 16.93 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.053 -1.029 . . . . 0.35999999999999999 109.606 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.19 128.35 34.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 108.84 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 119.99 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.414 -0.804 . . . . 0.48999999999999999 109.807 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.56 147.01 40.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.449 -0.782 . . . . 2.1000000000000001 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.31 122.36 0.57 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.218 -1.153 . . . . 0.44 110.218 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 33.4 ttt-85 -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -1.123 . . . . 2.7200000000000002 109.41 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.53 -41.49 94.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 2.21 109.144 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.898 -0.778 . . . . 2.79 108.898 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.34 -49.48 77.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.395 -0.816 . . . . 0.45000000000000001 109.386 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.423 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.9 mt-10 -59.79 -40.26 87.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.949 -1.094 . . . . 1.6799999999999999 108.62 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -60.61 -50.02 75.21 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.381 -0.825 . . . . 0.42999999999999999 108.873 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.68 -40.05 95.88 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.621 -0.881 . . . . 0.28000000000000003 108.621 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.444 ' HG2' HH11 ' B' ' 24' ' ' ARG . 23.3 ttt-85 -56.7 -46.59 81.13 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.438 -0.789 . . . . 2.52 109.051 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.02 -48.02 83.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.26 -0.9 . . . . 1.75 108.833 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.24 -45.54 92.88 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.262 -0.899 . . . . 0.31 108.934 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 -50.29 74.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.347 -0.846 . . . . 1.21 109.64 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.586 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 86.0 tt0 -62.27 -40.0 94.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 109.493 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.78 80.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.27000000000000002 109.387 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.59 -41.47 98.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.29999999999999999 109.244 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.09 -41.68 93.01 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.092 -1.005 . . . . 1.9299999999999999 109.217 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.46 -44.15 97.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.24 -1.022 . . . . 0.40000000000000002 108.24 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -59.99 -39.91 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.541 -0.724 . . . . 1.5900000000000001 109.074 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.9 . . . . 1.4299999999999999 108.892 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.02 94.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.009 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -70.74 -35.85 72.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.1899999999999999 109.54 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -6.07 17.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.254 -0.904 . . . . 1.22 109.683 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.13 -1.54 85.69 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.986 -1.645 . . . . 1.53 108.986 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.3 152.07 25.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.315 -1.109 . . . . 4.21 109.269 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 40' ' ' GLU . 2.9 mp0 -57.56 149.14 52.48 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 5.6799999999999997 109.283 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -54.5 135.8 67.57 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.197 1.265 . . . . 5.5700000000000003 109.979 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.485 -1.446 . . . . 7.2000000000000002 109.485 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.614 ' O ' ' N ' ' C' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.67 0.272 . . . . 8.9600000000000009 110.659 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 49.78 -12.07 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.084 0.772 . . . . 8.1500000000000004 113.084 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' C' ' 1' ' ' LYS . 96.1 mttt 42.84 70.33 1.85 Allowed Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 120.606 -1.309 . . . . 7.1500000000000004 110.804 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -57.78 171.02 1.67 Allowed 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.296 1.33 . . . . 4.3499999999999996 109.911 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.72 124.24 28.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 4.6299999999999999 109.706 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.54 169.93 17.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 2.8500000000000001 109.106 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' C' ' 9' ' ' TYR . . . -63.88 143.16 47.38 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.223 -1.551 . . . . 1.1200000000000001 109.223 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.19 138.47 57.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -1.161 . . . . 2.1099999999999999 109.942 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' C' ' 7' ' ' GLY . 97.1 m-85 -110.96 141.68 44.07 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.02 -0.733 . . . . 0.64000000000000001 109.02 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.61 139.71 46.68 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.258 -0.901 . . . . 0.48999999999999999 109.975 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 60.7 p -89.24 155.44 19.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.643 -0.873 . . . . 0.46999999999999997 108.643 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.47 129.49 15.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.036 -1.04 . . . . 0.41999999999999998 109.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.5 128.58 34.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 1.8100000000000001 108.795 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.02 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.365 -0.835 . . . . 0.41999999999999998 109.66 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -75.77 147.25 39.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.39 -0.818 . . . . 2.3500000000000001 110.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 122.43 0.58 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.235 -1.146 . . . . 0.40999999999999998 110.235 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 34.5 ttt-85 -64.68 -41.08 96.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.342 -1.093 . . . . 2.5899999999999999 109.643 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.76 -40.97 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 2.54 109.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.95 -40.12 87.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.451 -0.781 . . . . 3.3900000000000001 108.912 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.32 -49.19 78.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.46999999999999997 109.353 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 98.9 mt-10 -59.95 -40.22 88.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.065 . . . . 1.6599999999999999 108.6 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.4 ttp -60.82 -49.98 75.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.439 -0.788 . . . . 0.60999999999999999 109.058 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.02 -40.02 96.5 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.574 -0.899 . . . . 0.33000000000000002 108.574 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' C' ' 24' ' ' ARG . 21.7 ttt-85 -56.84 -46.57 81.62 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.479 -0.763 . . . . 3.2799999999999998 109.029 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.02 -48.23 82.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 1.78 108.792 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.81 -45.89 91.87 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.213 -0.93 . . . . 0.38 109.043 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.98 -50.36 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.2 109.532 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.656 ' CD ' ' HZ1' ' D' ' 33' ' ' LYS . 85.8 tt0 -61.9 -40.03 94.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.915 . . . . 2.1200000000000001 109.5 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.75 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.301 -0.875 . . . . 0.26000000000000001 109.392 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.27 -41.77 98.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.113 -0.992 . . . . 0.40000000000000002 109.137 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -41.81 93.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 2.0899999999999999 109.294 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.35 -43.95 98.01 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.265 -1.013 . . . . 0.75 108.265 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.547 ' HZ1' ' CD ' ' D' ' 28' ' ' GLU . 19.8 ttmm -60.14 -39.99 88.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.552 -0.718 . . . . 2.1899999999999999 109.09 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.206 -0.934 . . . . 1.3400000000000001 108.979 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.08 94.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.364 -0.835 . . . . 0.71999999999999997 108.886 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -70.92 -34.98 72.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.393 -0.817 . . . . 1.8 109.625 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.0 22.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 1.3899999999999999 109.736 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.56 -1.87 83.62 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.047 -1.621 . . . . 1.6599999999999999 109.047 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.64 151.96 26.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.468 -1.019 . . . . 4.4500000000000002 109.251 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' C' ' 40' ' ' GLU . 3.1 mp0 -57.34 149.32 49.18 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 6.1900000000000004 109.234 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -54.15 134.56 60.89 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.082 1.188 . . . . 5.5800000000000001 110.086 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 117.951 -1.472 . . . . 6.9000000000000004 109.681 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' D' ' 3' ' ' LYS . 65.1 mttm . . . . . 0 C--O 1.197 -1.67 0 N-CA-C 107.705 -1.22 . . . . 7.3600000000000003 107.705 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -35.33 -4.79 0.0 OUTLIER 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 113.678 0.992 . . . . 7.1500000000000004 113.678 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.791 ' N ' ' O ' ' D' ' 1' ' ' LYS . 91.2 mttt 50.39 67.02 4.77 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 120.209 -1.557 . . . . 6.5 109.483 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -57.21 170.59 1.54 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.165 1.243 . . . . 4.5 109.507 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.89 124.62 28.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.104 -0.998 . . . . 4.3200000000000003 109.543 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.43 170.24 16.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.385 -0.822 . . . . 2.46 109.263 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' GLY . . . . . 0.447 ' O ' ' CE1' ' D' ' 9' ' ' TYR . . . -64.06 142.82 46.74 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.133 -1.587 . . . . 0.96999999999999997 109.133 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 138.46 57.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.152 -1.205 . . . . 1.6699999999999999 109.91 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.447 ' CE1' ' O ' ' D' ' 7' ' ' GLY . 97.1 m-85 -110.98 141.93 43.77 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.175 -0.676 . . . . 0.60999999999999999 109.175 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -133.88 139.06 45.96 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.263 -0.898 . . . . 0.56000000000000005 109.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.99 154.93 19.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 108.666 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -146.47 130.28 17.12 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.032 -1.042 . . . . 0.34999999999999998 109.46 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -83.3 128.28 34.37 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.577 -0.898 . . . . 1.3700000000000001 108.577 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -120.03 120.02 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.41 -0.806 . . . . 0.47999999999999998 109.791 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.9 147.14 39.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.514 -0.742 . . . . 2.0800000000000001 110.012 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.48 122.09 0.58 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.281 -1.128 . . . . 0.40000000000000002 110.281 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' D' ' 17' ' ' ARG . 35.0 ttt-85 -64.44 -41.23 96.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -1.103 . . . . 2.6400000000000001 109.421 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.57 -40.95 93.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.13 -0.981 . . . . 2.2200000000000002 109.156 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.05 -40.12 88.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.841 . . . . 2.7400000000000002 109.025 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.07 -48.97 79.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.42999999999999999 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.99 -40.57 89.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.909 -1.119 . . . . 1.6899999999999999 108.75 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -60.8 -50.14 74.67 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.374 -0.829 . . . . 0.42999999999999999 108.918 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.75 -39.94 95.7 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.634 -0.876 . . . . 0.27000000000000002 108.634 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' ARG . . . . . 0.459 ' HG2' HH11 ' D' ' 24' ' ' ARG . 22.9 ttt-85 -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.473 -0.767 . . . . 2.4500000000000002 109.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -47.98 83.64 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.859 . . . . 1.75 108.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.0 -45.77 92.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.155 -0.966 . . . . 0.31 108.865 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.01 -50.33 74.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.358 -0.839 . . . . 1.22 109.617 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' GLU . . . . . 0.547 ' CD ' ' HZ1' ' C' ' 33' ' ' LYS . 85.9 tt0 -62.03 -40.02 94.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 1.73 109.429 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.83 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.187 -0.946 . . . . 0.28000000000000003 109.363 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.95 -42.11 98.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.985 . . . . 0.31 109.157 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -41.16 92.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 1.9099999999999999 109.34 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -43.98 97.74 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.207 -1.034 . . . . 0.42999999999999999 108.207 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' LYS . . . . . 0.656 ' HZ1' ' CD ' ' C' ' 28' ' ' GLU . 19.7 ttmm -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.049 -0.723 . . . . 1.5700000000000001 109.049 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.08 -39.88 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.053 -1.03 . . . . 1.4399999999999999 108.979 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.99 94.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.64000000000000001 108.871 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -70.95 -35.25 72.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 1.21 109.473 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.54 -6.84 21.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 1.22 109.684 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.95 -1.81 85.6 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.173 -1.571 . . . . 1.5 109.173 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -82.26 154.4 25.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -1.097 . . . . 4.1799999999999997 109.114 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' GLU . . . . . 0.514 ' H ' ' CD ' ' D' ' 40' ' ' GLU . 2.9 mp0 -60.1 148.96 76.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.161 -0.962 . . . . 5.6699999999999999 109.138 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.28 136.98 63.8 Favored 'Trans proline' 0 C--N 1.324 -0.729 0 C-N-CA 121.145 1.23 . . . . 5.6500000000000004 109.952 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 118.075 -1.403 . . . . 7.2699999999999996 109.632 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 3' ' ' LYS . 86.3 tttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.08 -0.711 . . . . 7.3300000000000001 109.08 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 3' ' ' LYS . 45.1 tttp 63.02 -62.15 0.13 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.829 -0.544 . . . . 7.21 110.108 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 1' ' ' LYS . 79.0 mttt 57.17 153.64 0.07 OUTLIER Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.775 -0.578 . . . . 6.4699999999999998 109.67 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.01 -162.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 121.197 1.264 . . . . 4.5300000000000002 109.897 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.32 147.9 32.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.849 . . . . 4.3499999999999996 109.503 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -79.55 160.9 26.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 2.48 109.323 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.79 154.37 53.02 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.356 -1.498 . . . . 0.97999999999999998 109.356 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.05 140.01 57.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -1.13 . . . . 1.7 109.89 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -103.04 140.38 37.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 0.60999999999999999 109.461 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.42 139.2 50.6 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.435 -0.791 . . . . 0.57999999999999996 109.49 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.0 p -88.63 156.34 19.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.376 -0.827 . . . . 0.41999999999999998 108.795 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.95 129.96 15.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.922 . . . . 0.35999999999999999 109.081 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -84.49 129.0 34.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 1.3700000000000001 109.097 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.83 119.96 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.486 -0.759 . . . . 0.46999999999999997 109.434 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -77.59 149.69 34.79 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.17 -0.956 . . . . 2.1000000000000001 110.219 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.66 124.47 0.47 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 110.37 -1.092 . . . . 0.41999999999999998 110.37 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.87 -40.06 91.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -1.072 . . . . 2.6800000000000002 109.552 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.96 -42.41 94.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.199 -0.938 . . . . 2.2200000000000002 108.766 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.65 -40.91 98.52 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 2.77 108.573 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 109.64 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.055 -1.028 . . . . 1.6599999999999999 108.293 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.7 ttp -61.55 -49.92 74.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.44 109.54 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.09 -40.09 94.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.28999999999999998 109.672 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 28.4 ttm-85 -59.2 -41.2 87.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.023 -1.048 . . . . 2.4399999999999999 108.932 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.93 -49.21 78.59 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.44 -48.52 80.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.29999999999999999 108.665 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.498 -0.751 . . . . 1.22 108.982 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.502 ' HB3' ' HZ1' ' B' ' 33' ' ' LYS . 88.3 tt0 -60.05 -41.42 92.27 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 1.72 109.107 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.01 -49.45 77.61 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 109.335 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.15 -43.07 99.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -0.985 . . . . 0.28999999999999998 109.251 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -40.15 90.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.252 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.01 -49.49 77.46 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.454 -0.943 . . . . 0.40999999999999998 108.454 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.02 -39.92 87.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.451 -0.78 . . . . 1.5600000000000001 109.151 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.365 -0.835 . . . . 1.4299999999999999 109.425 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.0 94.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.427 -0.796 . . . . 0.66000000000000003 109.746 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -80.82 -10.28 59.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.095 -1.003 . . . . 1.1799999999999999 109.733 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -69.94 -36.0 74.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.177 -0.952 . . . . 1.23 109.659 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.55 46.53 0.2 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 110.125 -1.19 . . . . 1.54 110.125 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ALA . 87.6 tttt -83.61 136.57 34.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.074 -1.251 . . . . 4.1799999999999997 109.171 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -56.48 150.39 34.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.186 -0.946 . . . . 5.71 108.673 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.13 168.6 0.86 Allowed 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 120.928 1.086 . . . . 5.6100000000000003 109.946 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 117.963 -1.465 . . . . 7.2400000000000002 109.56 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 3' ' ' LYS . 85.9 tttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.397 -0.594 . . . . 7.3399999999999999 109.397 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 3' ' ' LYS . 45.6 tttp 63.57 -61.63 0.15 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.916 -0.49 . . . . 7.1699999999999999 109.961 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 1' ' ' LYS . 80.0 mttt 56.7 153.87 0.07 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.731 -0.606 . . . . 6.4400000000000004 109.795 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.07 -162.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 121.199 1.266 . . . . 4.54 109.982 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.4 147.95 32.16 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 4.3200000000000003 109.579 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.87 159.88 26.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.314 -0.867 . . . . 2.4700000000000002 109.278 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.07 154.14 51.49 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.456 -1.458 . . . . 0.94999999999999996 109.456 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 139.42 57.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -1.133 . . . . 1.6100000000000001 109.942 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.1 141.22 35.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.473 -0.767 . . . . 0.56999999999999995 109.496 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -131.3 138.2 49.15 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.45 -0.781 . . . . 0.53000000000000003 109.648 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -88.1 155.09 19.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.38 109.133 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -146.84 129.91 16.42 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.35999999999999999 109.155 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.31 128.46 34.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.3600000000000001 109.093 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.37 120.0 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.418 -0.801 . . . . 0.48999999999999999 109.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -77.37 149.67 35.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 2.1000000000000001 110.086 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.46 126.37 0.54 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.211 -1.156 . . . . 0.44 110.211 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -67.57 -39.92 84.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.475 -1.015 . . . . 2.7200000000000002 109.45 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.04 -42.51 94.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.19 -0.943 . . . . 2.21 108.796 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.44 -40.72 97.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.253 -0.904 . . . . 2.79 108.621 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.08 -49.87 75.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.445 -0.785 . . . . 0.45000000000000001 109.64 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.6 -49.6 75.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.614 -0.679 . . . . 0.42999999999999999 109.412 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.09 -40.42 95.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.473 -0.767 . . . . 0.28000000000000003 109.504 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 24' ' ' ARG . 27.7 ttm-85 -59.29 -41.22 88.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.068 -1.02 . . . . 2.52 109.046 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -49.28 78.26 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.501 -0.926 . . . . 1.75 108.501 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.29 -48.51 81.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.31 108.738 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.02 -48.52 81.37 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.835 -0.802 . . . . 1.21 108.835 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -41.32 91.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.407 -0.808 . . . . 1.6899999999999999 109.202 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.96 -49.02 79.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.27000000000000002 109.44 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.56 -42.71 99.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 0.29999999999999999 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.99 -40.06 92.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 1.9299999999999999 108.998 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.98 -49.76 76.4 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.521 -0.918 . . . . 0.40000000000000002 108.521 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' A' ' 28' ' ' GLU . 35.2 ttmt -60.0 -40.0 87.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.549 -0.72 . . . . 1.5900000000000001 109.066 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.389 -0.819 . . . . 1.4299999999999999 109.477 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.22 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.807 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -80.49 -10.6 59.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.1899999999999999 109.798 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' B' ' 39' ' ' LYS . . . -69.34 -36.34 76.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.2 -0.937 . . . . 1.22 109.551 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.49 47.07 0.2 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.179 -1.168 . . . . 1.53 110.179 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 37' ' ' ALA . 87.5 tttt -83.84 136.77 33.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.053 -1.263 . . . . 4.21 109.116 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 150.38 37.03 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.135 -0.978 . . . . 5.6799999999999997 108.637 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.11 170.32 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 120.9 1.067 . . . . 5.5700000000000003 109.909 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.929 -1.484 . . . . 7.2000000000000002 109.562 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' C' ' 3' ' ' LYS . 86.6 tttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.122 -0.696 . . . . 8.9600000000000009 109.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' C' ' 3' ' ' LYS . 45.1 tttp 63.81 -61.78 0.16 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.879 -0.513 . . . . 8.1500000000000004 110.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' C' ' 1' ' ' LYS . 78.2 mttt 56.63 154.01 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.729 -0.607 . . . . 7.1500000000000004 109.768 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -58.19 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 121.168 1.246 . . . . 4.3499999999999996 110.005 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.37 148.05 32.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 4.6299999999999999 109.48 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -79.73 159.92 26.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.415 -0.803 . . . . 2.8500000000000001 109.535 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.58 153.83 52.3 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.355 -1.498 . . . . 1.1200000000000001 109.355 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.98 140.13 56.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.098 -1.236 . . . . 2.1099999999999999 109.956 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.91 141.2 36.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.676 -0.64 . . . . 0.64000000000000001 109.47 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -131.04 138.58 49.68 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.447 -0.783 . . . . 0.48999999999999999 109.656 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 44.5 p -88.39 155.97 19.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.307 -0.871 . . . . 0.46999999999999997 109.108 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -147.68 129.98 15.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.181 -0.949 . . . . 0.41999999999999998 109.227 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.81 129.05 34.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 1.8100000000000001 109.004 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.7 119.99 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.519 -0.738 . . . . 0.41999999999999998 109.335 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -77.46 149.95 35.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.3500000000000001 109.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.27 125.99 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.515 -1.034 . . . . 0.40999999999999998 110.515 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.13 -40.0 86.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -1.03 . . . . 2.5899999999999999 109.302 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.05 -43.1 95.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.009 . . . . 2.54 108.919 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.8 -40.97 97.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 3.3900000000000001 108.84 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.01 -50.01 75.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.46999999999999997 109.487 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -40.42 89.58 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.17 -1.048 . . . . 1.6599999999999999 108.17 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.5 ttp -61.46 -49.98 74.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.694 -0.629 . . . . 0.60999999999999999 109.445 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.72 -40.12 93.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.476 -0.765 . . . . 0.33000000000000002 109.671 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -59.31 -41.11 88.25 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.931 -1.105 . . . . 3.2799999999999998 109.053 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.81 80.17 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 1.78 108.504 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.38 108.605 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.06 -48.83 80.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 1.2 108.852 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.02 -41.29 91.86 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.379 -0.825 . . . . 2.1200000000000001 109.057 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.679 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.283 -0.885 . . . . 0.26000000000000001 109.363 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -42.66 99.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 0.40000000000000002 109.306 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.83 -40.24 92.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 2.0899999999999999 109.236 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.01 -49.66 76.78 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.497 -0.927 . . . . 0.75 108.497 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.677 ' HZ1' ' HB3' ' D' ' 28' ' ' GLU . 34.8 ttmt -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.474 -0.766 . . . . 2.1899999999999999 109.084 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.96 -39.99 87.51 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.357 -0.839 . . . . 1.3400000000000001 109.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.98 93.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.294 -0.878 . . . . 0.71999999999999997 109.925 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -80.64 -10.16 59.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.005 . . . . 1.8 109.633 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' C' ' 39' ' ' LYS . . . -69.98 -35.48 74.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 1.3899999999999999 109.553 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.21 46.97 0.25 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.104 -1.198 . . . . 1.6599999999999999 110.104 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' C' ' 37' ' ' ALA . 87.1 tttt -83.99 135.91 34.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.057 -1.26 . . . . 4.4500000000000002 109.022 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.0 150.63 28.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 6.1900000000000004 108.834 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -53.95 169.38 0.63 Allowed 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 121.031 1.154 . . . . 5.5800000000000001 109.988 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.959 -1.467 . . . . 6.9000000000000004 109.476 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' D' ' 3' ' ' LYS . 85.8 tttt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.296 -0.631 . . . . 7.3600000000000003 109.296 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' D' ' 3' ' ' LYS . 44.7 tttp 63.3 -61.85 0.14 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.912 -0.493 . . . . 7.1500000000000004 110.121 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' D' ' 1' ' ' LYS . 76.9 mttt 56.95 154.0 0.07 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.786 -0.571 . . . . 6.5 109.724 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.33 -162.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.102 1.202 . . . . 4.5 109.847 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.78 147.88 33.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.408 -0.808 . . . . 4.3200000000000003 109.428 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -79.95 160.82 25.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.817 . . . . 2.46 109.315 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.46 154.03 52.93 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.341 -1.503 . . . . 0.96999999999999997 109.341 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 139.97 57.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.284 -1.127 . . . . 1.6699999999999999 109.875 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.98 140.81 36.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.582 -0.699 . . . . 0.60999999999999999 109.353 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.22 139.6 50.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.515 -0.741 . . . . 0.56000000000000005 109.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -88.96 155.91 19.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 108.942 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -147.64 129.8 15.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.11 -0.994 . . . . 0.34999999999999998 109.073 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.58 128.71 34.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.3700000000000001 108.995 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.73 120.0 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.406 -0.809 . . . . 0.47999999999999998 109.28 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -77.16 149.87 35.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 2.0800000000000001 110.035 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.99 125.21 0.43 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.469 -1.052 . . . . 0.40000000000000002 110.469 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -66.33 -40.04 89.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.435 -1.038 . . . . 2.6400000000000001 109.577 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.18 93.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.053 -1.029 . . . . 2.2200000000000002 108.928 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.59 -40.87 98.3 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.676 -0.861 . . . . 2.7400000000000002 108.676 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -59.96 -50.08 75.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.599 -0.688 . . . . 0.42999999999999999 109.597 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.29 88.57 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.02 -1.104 . . . . 1.6899999999999999 108.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 60.5 ttp -61.16 -49.95 75.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.41 0.624 . . . . 0.42999999999999999 109.622 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.05 -40.33 95.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.453 -0.779 . . . . 0.27000000000000002 109.565 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' D' ' 24' ' ' ARG . 29.3 ttm-85 -59.37 -41.12 88.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.096 -1.002 . . . . 2.4500000000000002 109.031 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -48.79 80.25 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.386 -0.968 . . . . 1.75 108.386 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.95 -48.5 80.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.31 108.788 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.97 -48.47 81.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.46 -0.775 . . . . 1.22 108.926 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 28' ' ' GLU . . . . . 0.677 ' HB3' ' HZ1' ' C' ' 33' ' ' LYS . 88.4 tt0 -59.98 -41.46 92.06 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.393 -0.817 . . . . 1.73 109.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.679 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.0 -50.01 75.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -0.846 . . . . 0.28000000000000003 109.299 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.73 -42.66 97.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.326 -0.859 . . . . 0.31 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.03 -40.15 92.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 109.032 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.599 -0.889 . . . . 0.42999999999999999 108.599 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.01 -40.03 87.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.466 -0.771 . . . . 1.5700000000000001 109.179 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -39.98 87.87 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.411 -0.805 . . . . 1.4399999999999999 109.421 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.0 93.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.805 . . . . 0.64000000000000001 109.78 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -80.95 -10.25 59.74 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.041 -1.037 . . . . 1.21 109.667 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' D' ' 39' ' ' LYS . . . -69.8 -36.18 75.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.213 -0.93 . . . . 1.22 109.44 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.25 46.64 0.18 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.21 -1.156 . . . . 1.5 110.21 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' D' ' 37' ' ' ALA . 87.6 tttt -83.28 139.53 33.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.085 -1.244 . . . . 4.1799999999999997 109.161 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.99 149.99 71.59 Favored Pre-proline 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 5.6699999999999999 108.454 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -53.27 168.44 0.6 Allowed 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 120.982 1.121 . . . . 5.6500000000000004 109.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 118.023 -1.431 . . . . 7.2699999999999996 109.635 179.865 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.964 -0.754 . . . . 7.3300000000000001 108.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 98.1 mttt 50.06 52.95 13.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.132 -0.98 . . . . 7.21 109.461 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 35.9 mttm 88.03 69.96 0.05 OUTLIER Pre-proline 0 N--CA 1.51 2.554 0 C-N-CA 122.615 0.366 . . . . 6.4699999999999998 110.219 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -61.39 -157.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 121.65 1.566 . . . . 4.5300000000000002 109.878 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.12 106.49 13.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.135 -0.978 . . . . 4.3499999999999996 109.346 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -86.16 -104.96 0.06 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.214 -0.929 . . . . 2.48 109.945 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.97 148.93 47.01 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 110.049 -1.221 . . . . 0.97999999999999998 110.049 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 52.5 mp0 -61.76 140.05 58.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.281 -1.129 . . . . 1.7 109.116 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -96.34 141.62 29.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.362 -0.836 . . . . 0.60999999999999999 109.773 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.69 142.63 48.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.48 -0.762 . . . . 0.57999999999999996 109.636 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.3 p -90.13 154.87 19.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.247 -0.908 . . . . 0.41999999999999998 109.029 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -148.5 132.52 17.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.084 -1.01 . . . . 0.35999999999999999 109.657 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.18 127.52 34.3 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.249 -0.907 . . . . 1.3700000000000001 108.976 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.38 120.06 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.333 -0.855 . . . . 0.46999999999999997 109.803 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -77.32 148.99 35.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.349 -0.844 . . . . 2.1000000000000001 110.028 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.9 115.97 0.35 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.234 -1.147 . . . . 0.41999999999999998 110.234 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -60.95 -41.51 96.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -1.085 . . . . 2.6800000000000002 109.367 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.061 . . . . 2.2200000000000002 108.832 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.7 ttm180 -62.47 -40.06 95.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.589 -0.893 . . . . 2.77 108.589 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.04 -49.76 76.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.28 -0.888 . . . . 0.42999999999999999 109.075 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.83 -40.49 88.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.19 -0.944 . . . . 1.6599999999999999 108.532 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 24.5 ttp -63.27 -49.98 71.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.434 -0.791 . . . . 0.44 109.074 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.19 -40.34 97.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.347 -0.846 . . . . 0.28999999999999998 109.193 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.8 -44.13 94.11 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.106 -0.996 . . . . 2.4399999999999999 108.833 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.03 87.51 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.311 -0.868 . . . . 1.74 108.993 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.32 -43.6 97.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.197 -0.939 . . . . 0.29999999999999999 109.119 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.348 -0.845 . . . . 1.22 109.497 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -39.94 95.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.51 -0.744 . . . . 1.72 109.624 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.675 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.73 -49.06 79.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.27000000000000002 109.618 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.57 -43.48 97.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.28999999999999998 109.112 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -40.0 89.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.866 . . . . 1.9099999999999999 109.269 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 HD22 ' B' ' 32' ' ' LEU . 4.0 tt -63.02 -52.95 60.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.103 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.03 -42.95 95.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.08 -1.013 . . . . 1.5600000000000001 109.423 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 96.1 m-20 -60.1 -39.93 87.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.345 -0.847 . . . . 1.4299999999999999 109.2 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.42 94.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.66000000000000003 109.349 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.67 -11.75 58.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 1.1799999999999999 109.277 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.64 76.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 1.23 109.32 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.27 54.3 3.15 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.81 -1.316 . . . . 1.54 109.81 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -87.53 -0.61 57.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.254 -1.144 . . . . 4.1799999999999997 109.514 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.38 150.87 31.1 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 5.71 108.934 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.99 138.86 61.86 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 C-N-CA 121.106 1.204 . . . . 5.6100000000000003 110.036 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.888 -1.507 . . . . 7.2400000000000002 109.476 179.864 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.101 -0.703 . . . . 7.3399999999999999 109.101 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 97.4 mttt 49.95 52.7 14.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.072 -1.018 . . . . 7.1699999999999999 109.65 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' B' ' 2' ' ' LYS . 36.9 mttm 88.26 70.05 0.05 OUTLIER Pre-proline 0 N--CA 1.509 2.481 0 C-N-CA 122.669 0.388 . . . . 6.4400000000000004 110.02 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.63 -158.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 121.53 1.487 . . . . 4.54 109.794 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 105.82 12.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 4.3200000000000003 109.364 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -85.64 -102.5 0.06 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 2.4700000000000002 110.154 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 147.41 39.71 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.026 -1.23 . . . . 0.94999999999999996 110.026 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 54.1 mp0 -60.05 140.02 57.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -1.115 . . . . 1.6100000000000001 109.155 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.8 141.56 29.86 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.293 -0.879 . . . . 0.56999999999999995 109.885 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -133.51 142.82 48.4 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.338 -0.852 . . . . 0.53000000000000003 109.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.38 156.07 18.93 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 0.38 108.967 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -149.66 131.91 15.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.004 -1.06 . . . . 0.35999999999999999 109.625 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.75 127.25 34.02 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.262 -0.898 . . . . 1.3600000000000001 108.93 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.02 120.07 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.35 -0.844 . . . . 0.48999999999999999 109.849 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -77.46 148.93 35.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.28 -0.888 . . . . 2.1000000000000001 110.15 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 116.13 0.32 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.344 -1.103 . . . . 0.44 110.344 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.64 -41.32 94.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.393 -1.063 . . . . 2.7200000000000002 109.693 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.04 -40.38 89.2 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.033 -1.042 . . . . 2.21 108.799 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.8 ttm180 -62.66 -39.93 95.47 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.631 -0.877 . . . . 2.79 108.631 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.99 -49.67 76.76 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.894 -0.78 . . . . 0.45000000000000001 108.894 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -41.53 90.99 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 ttp -62.32 -50.3 72.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.363 -0.836 . . . . 0.42999999999999999 109.16 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.97 -41.04 99.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.509 -0.744 . . . . 0.28000000000000003 109.116 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.32 -44.04 92.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.177 -0.952 . . . . 2.52 108.968 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -47.74 84.58 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 1.75 108.825 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.87 -43.21 99.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.31 109.083 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -50.03 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.28 -0.888 . . . . 1.21 109.243 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -39.95 95.67 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.585 -0.697 . . . . 1.6899999999999999 109.584 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.675 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.02 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.903 . . . . 0.27000000000000002 109.562 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.69 -43.62 97.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.973 -1.079 . . . . 0.29999999999999999 109.152 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -39.94 89.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 1.9299999999999999 109.468 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.624 HD22 HD22 ' A' ' 32' ' ' LEU . 4.0 tt -62.56 -53.25 57.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 0.40000000000000002 109.144 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.13 -42.77 95.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 1.5900000000000001 109.391 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.532 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 1.4299999999999999 109.232 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.52 96.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.338 -0.852 . . . . 0.65000000000000002 109.318 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -81.65 -12.81 58.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.861 . . . . 1.1899999999999999 109.471 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.96 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.228 -0.92 . . . . 1.22 109.377 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.56 55.97 3.35 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.716 -1.354 . . . . 1.53 109.716 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -88.99 -0.01 57.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.352 -1.087 . . . . 4.21 109.213 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -56.99 150.45 39.21 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 108.705 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.62 139.78 56.82 Favored 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 120.984 1.123 . . . . 5.5700000000000003 109.92 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.066 -1.408 . . . . 7.2000000000000002 109.582 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' C' ' 3' ' ' LYS . 71.2 mmtt . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.215 -0.661 . . . . 8.9600000000000009 109.215 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' C' ' 3' ' ' LYS . 96.3 mttt 63.62 -38.87 0.19 Allowed 'General case' 0 C--O 1.188 -2.135 0 CA-C-N 116.394 -0.366 . . . . 8.1500000000000004 110.953 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.558 ' CG ' ' O ' ' C' ' 2' ' ' LYS . 37.5 mttm -174.56 74.06 0.32 Allowed Pre-proline 0 N--CA 1.509 2.509 0 N-CA-C 105.266 -2.124 . . . . 7.1500000000000004 105.266 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.24 -162.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.197 1.265 . . . . 4.3499999999999996 111.256 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.31 105.61 11.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.486 -0.759 . . . . 4.6299999999999999 109.133 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -85.05 -103.89 0.05 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.8500000000000001 109.877 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.4 148.29 43.66 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.964 -1.254 . . . . 1.1200000000000001 109.964 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 55.3 mp0 -61.06 140.0 57.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.35 -1.088 . . . . 2.1099999999999999 109.132 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.55 140.55 31.02 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.299 -0.876 . . . . 0.64000000000000001 109.978 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.64 142.06 48.92 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.516 -0.74 . . . . 0.48999999999999999 109.617 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 63.7 p -89.19 153.95 20.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 0.46999999999999997 108.965 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -147.77 132.54 17.96 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.953 -1.092 . . . . 0.41999999999999998 109.598 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.06 127.69 34.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.23 -0.919 . . . . 1.8100000000000001 108.984 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.55 119.96 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.355 -0.84 . . . . 0.41999999999999998 109.771 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -77.62 149.5 34.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.26 -0.9 . . . . 2.3500000000000001 110.096 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 116.08 0.32 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.226 -1.15 . . . . 0.40999999999999998 110.226 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -61.24 -41.31 96.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -1.097 . . . . 2.5899999999999999 109.427 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.91 -40.22 88.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.068 -1.02 . . . . 2.54 108.757 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 44.0 ttm180 -62.7 -39.96 95.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.232 -0.918 . . . . 3.3900000000000001 108.734 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.01 -49.66 76.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.46999999999999997 109.114 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.9 -41.07 90.83 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.296 -1.001 . . . . 1.6599999999999999 108.296 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.3 -50.06 73.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.359 -0.838 . . . . 0.60999999999999999 109.122 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.26 -41.18 99.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.33000000000000002 109.091 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -59.32 -43.84 92.64 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.224 -0.922 . . . . 3.2799999999999998 108.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.96 -47.81 84.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.303 -0.873 . . . . 1.78 108.826 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.68 -43.55 98.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.38 109.12 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.13 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.332 -0.855 . . . . 1.2 109.457 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.49 -40.04 95.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.553 -0.717 . . . . 2.1200000000000001 109.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.707 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.42 -49.57 76.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 0.26000000000000001 109.718 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.19 -43.83 95.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.40000000000000002 108.936 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.29 -40.43 90.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.0899999999999999 109.442 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' LEU . . . . . 0.609 HD22 HD22 ' D' ' 32' ' ' LEU . 4.0 tt -62.52 -53.07 60.24 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.489 -0.757 . . . . 0.75 108.999 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.01 -42.94 95.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 2.1899999999999999 109.402 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.502 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 95.3 m-20 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 1.3400000000000001 109.405 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.02 96.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.71999999999999997 109.266 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.82 -12.53 58.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 1.8 109.461 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.97 76.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 1.3899999999999999 109.406 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 55.28 3.09 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.621 -1.391 . . . . 1.6599999999999999 109.621 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -88.36 -0.22 56.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.086 -1.243 . . . . 4.4500000000000002 109.415 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -56.83 150.86 35.51 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.312 -0.868 . . . . 6.1900000000000004 108.796 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -52.75 139.19 59.19 Favored 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.95 1.1 . . . . 5.5800000000000001 110.001 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.454 -1.458 . . . . 6.9000000000000004 109.454 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.104 -0.702 . . . . 7.3600000000000003 109.104 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' D' ' 3' ' ' LYS . 97.6 mttt 50.02 52.63 14.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.993 -1.067 . . . . 7.1500000000000004 109.478 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' D' ' 2' ' ' LYS . 36.2 mttm 87.9 70.31 0.05 OUTLIER Pre-proline 0 N--CA 1.508 2.474 0 C-N-CA 122.61 0.364 . . . . 6.5 110.076 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.59 -157.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.667 1.578 . . . . 4.5 109.862 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.42 106.32 13.29 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.156 -0.965 . . . . 4.3200000000000003 109.329 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -85.95 -103.42 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 2.46 109.92 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 148.54 43.73 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.068 -1.213 . . . . 0.96999999999999997 110.068 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 53.7 mp0 -61.32 139.96 58.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -1.119 . . . . 1.6699999999999999 109.15 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.6 141.62 29.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.327 -0.858 . . . . 0.60999999999999999 109.974 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.61 142.52 48.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.509 -0.745 . . . . 0.56000000000000005 109.61 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 64.9 p -89.72 154.29 20.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.29 -0.881 . . . . 0.42999999999999999 108.96 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -148.01 132.37 17.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.05 . . . . 0.34999999999999998 109.685 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.93 127.81 34.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 108.921 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.61 120.1 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.362 -0.837 . . . . 0.47999999999999998 109.907 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -77.69 149.44 34.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.0800000000000001 110.139 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 116.2 0.32 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.262 -1.135 . . . . 0.40000000000000002 110.262 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.08 -41.15 96.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -1.105 . . . . 2.6400000000000001 109.608 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.06 -40.22 88.73 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.935 -1.103 . . . . 2.2200000000000002 108.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.532 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.9 ttm180 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.676 -0.861 . . . . 2.7400000000000002 108.676 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.09 -49.7 76.6 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.43 -0.793 . . . . 0.42999999999999999 109.088 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.0 -40.63 89.85 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.371 -0.974 . . . . 1.6899999999999999 108.371 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 25.5 ttp -62.98 -49.96 72.63 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.414 -0.804 . . . . 0.42999999999999999 108.966 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -40.87 98.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.43 -0.794 . . . . 0.27000000000000002 109.101 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -59.3 -44.24 92.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.069 -1.019 . . . . 2.4500000000000002 108.989 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -47.29 86.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.284 -0.885 . . . . 1.75 108.951 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.29 -43.32 98.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.211 -0.93 . . . . 0.31 109.016 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -50.05 75.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.865 . . . . 1.22 109.32 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.0 95.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.54 -0.725 . . . . 1.73 109.631 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.707 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.79 -48.88 79.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 0.28000000000000003 109.591 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.85 -42.61 98.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.092 -1.005 . . . . 0.31 109.067 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.36 -40.08 92.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.292 -0.88 . . . . 1.9099999999999999 109.191 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 32' ' ' LEU . . . . . 0.609 HD22 HD22 ' C' ' 32' ' ' LEU . 4.0 tt -62.74 -52.37 63.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.461 -0.774 . . . . 0.42999999999999999 109.127 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.49 -43.13 97.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 1.5700000000000001 109.445 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.1 m-20 -60.02 -40.11 88.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 1.4399999999999999 109.478 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.18 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.319 -0.863 . . . . 0.64000000000000001 109.35 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.97 -12.6 58.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.21 109.382 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.96 76.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.34 -0.85 . . . . 1.22 109.249 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.16 55.2 3.16 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.79 -1.324 . . . . 1.5 109.79 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -88.47 1.81 54.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.224 -1.163 . . . . 4.1799999999999997 109.397 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -59.42 150.0 66.85 Favored Pre-proline 0 N--CA 1.49 1.528 0 N-CA-C 108.649 -0.871 . . . . 5.6699999999999999 108.649 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -51.78 139.27 49.71 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 121.039 1.159 . . . . 5.6500000000000004 109.974 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.105 -1.386 . . . . 7.2699999999999996 109.768 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.5 -0.556 . . . . 7.3300000000000001 109.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.5 tptt 58.47 42.61 20.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 7.21 109.634 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 46.61 69.95 2.35 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.078 -1.014 . . . . 6.4699999999999998 110.079 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -61.66 159.15 33.77 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.47 1.447 . . . . 4.5300000000000002 109.406 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.34 112.06 18.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 4.3499999999999996 109.728 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.8 171.9 14.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.572 -0.705 . . . . 2.48 109.772 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.77 151.42 51.87 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.306 -1.518 . . . . 0.97999999999999998 109.306 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.06 139.93 57.15 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.453 -1.027 . . . . 1.7 110.246 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -107.93 146.95 31.7 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.88 -0.785 . . . . 0.60999999999999999 108.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.11 137.2 42.58 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.209 -0.932 . . . . 0.57999999999999996 109.455 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -87.85 153.93 20.94 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.869 -0.789 . . . . 0.41999999999999998 108.869 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 tp -145.66 133.09 20.72 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.028 -1.045 . . . . 0.35999999999999999 109.53 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -83.63 127.32 33.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.843 . . . . 1.3700000000000001 108.985 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.19 119.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.417 -0.802 . . . . 0.46999999999999997 109.524 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -77.51 143.33 38.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.382 -0.824 . . . . 2.1000000000000001 110.232 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.28 124.6 1.38 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.204 -1.159 . . . . 0.41999999999999998 110.204 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -67.48 -40.1 85.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -1.125 . . . . 2.6800000000000002 109.448 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.15 93.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 2.2200000000000002 108.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.08 -39.91 94.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.385 -0.822 . . . . 2.77 109.112 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.88 -49.99 75.53 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.286 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.122 -1.066 . . . . 1.6599999999999999 108.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 53.4 ttp -61.25 -50.72 71.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.48 -0.763 . . . . 0.44 109.55 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.7 -40.18 94.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.435 -0.791 . . . . 0.28999999999999998 109.135 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.37 -45.3 91.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.852 . . . . 2.4399999999999999 108.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.04 -48.5 81.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.727 -0.842 . . . . 1.74 108.727 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.87 -45.11 95.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.201 -0.937 . . . . 0.29999999999999999 108.767 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -60.05 -49.8 76.21 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.329 -0.857 . . . . 1.22 109.065 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.37 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.385 -0.822 . . . . 1.72 109.505 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.6 -49.32 78.2 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.27000000000000002 109.473 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.77 -41.46 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.133 -0.98 . . . . 0.28999999999999998 109.285 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.31 -43.35 96.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -0.992 . . . . 1.9099999999999999 108.886 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 0.40999999999999998 108.863 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -60.24 -39.84 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.54 -0.725 . . . . 1.5600000000000001 109.134 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.96 -39.96 87.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 1.4299999999999999 109.647 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.38 93.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.971 . . . . 0.66000000000000003 109.659 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -80.63 -10.25 59.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.038 -1.039 . . . . 1.1799999999999999 109.553 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -9.77 58.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.258 -0.901 . . . . 1.23 109.15 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.11 -78.91 0.77 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.803 -1.319 . . . . 1.54 109.803 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -85.39 143.46 28.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -1.171 . . . . 4.1799999999999997 109.737 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.79 149.42 72.47 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.682 -0.858 . . . . 5.71 108.682 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -54.81 147.77 49.23 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 120.991 1.127 . . . . 5.6100000000000003 109.951 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 CA-C-O 118.005 -1.442 . . . . 7.2400000000000002 109.585 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.237 -0.653 . . . . 7.3399999999999999 109.237 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 58.6 42.95 19.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.506 -0.746 . . . . 7.1699999999999999 109.502 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 46.11 70.31 2.11 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.111 -0.993 . . . . 6.4400000000000004 110.142 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -62.02 158.78 37.17 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 121.391 1.394 . . . . 4.54 109.391 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 83.8 mt -80.93 111.77 17.7 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 4.3200000000000003 109.782 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.1 169.95 16.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 2.4700000000000002 109.945 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.33 150.65 46.78 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.521 -1.432 . . . . 0.94999999999999996 109.521 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.19 140.02 57.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.275 -1.132 . . . . 1.6100000000000001 110.3 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.49 146.74 31.4 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.56999999999999995 108.954 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -134.75 137.08 43.13 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.206 -0.934 . . . . 0.53000000000000003 109.637 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.24 153.63 21.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 0.38 108.822 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -145.29 134.19 22.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.306 -0.871 . . . . 0.35999999999999999 109.485 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -84.69 127.06 33.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.269 -0.895 . . . . 1.3600000000000001 108.926 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.94 119.72 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.372 -0.83 . . . . 0.48999999999999999 109.425 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -76.81 144.03 39.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 2.1000000000000001 109.917 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.58 1.18 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.459 -1.056 . . . . 0.44 110.459 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.57 -40.05 84.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 2.7200000000000002 109.52 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.02 -43.12 95.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 2.21 108.647 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.11 -40.03 92.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.462 -0.774 . . . . 2.79 109.102 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.97 -49.85 76.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.464 -0.772 . . . . 0.45000000000000001 109.447 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.61 -41.04 84.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.091 -1.006 . . . . 1.6799999999999999 108.419 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 52.3 ttp -62.28 -49.97 73.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.605 -0.685 . . . . 0.42999999999999999 109.417 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.512 -0.743 . . . . 0.28000000000000003 109.199 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.45 -44.88 92.86 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.367 -0.833 . . . . 2.52 108.862 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -48.96 79.53 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.265 -0.897 . . . . 1.75 108.724 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.32 -45.34 94.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -0.899 . . . . 0.31 108.683 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.08 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.278 -0.888 . . . . 1.21 109.096 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 1.6899999999999999 109.483 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.89 -49.33 78.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.27000000000000002 109.352 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.19 -41.91 98.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 0.29999999999999999 109.142 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -43.27 94.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.869 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.14 -46.9 88.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 0.40000000000000002 108.912 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.13 -40.01 88.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.422 -0.799 . . . . 1.5900000000000001 109.088 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.89 -39.87 86.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.346 -0.846 . . . . 1.4299999999999999 109.677 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.25 92.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.084 -1.01 . . . . 0.65000000000000002 109.654 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -80.75 -10.32 59.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.106 -0.996 . . . . 1.1899999999999999 109.306 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.81 -9.4 58.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.143 -0.973 . . . . 1.22 109.129 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.15 -79.53 0.75 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.899 -1.28 . . . . 1.53 109.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -84.95 143.31 29.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.276 -1.132 . . . . 4.21 109.821 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.63 149.63 70.29 Favored Pre-proline 0 N--CA 1.489 1.502 0 N-CA-C 108.766 -0.827 . . . . 5.6799999999999997 108.766 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.1 147.73 52.27 Favored 'Trans proline' 0 C--N 1.323 -0.787 0 C-N-CA 120.902 1.068 . . . . 5.5700000000000003 110.131 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.356 -1.497 . . . . 7.2000000000000002 109.356 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.423 0.63 . . . . 8.9600000000000009 109.727 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 tptt 57.76 43.03 22.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 8.1500000000000004 109.56 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 76.3 mttt 46.7 69.99 2.33 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 7.1500000000000004 110.05 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.49 158.75 34.88 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.438 1.426 . . . . 4.3499999999999996 109.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.82 112.52 18.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 4.6299999999999999 109.439 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -81.26 172.34 13.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.51 -0.744 . . . . 2.8500000000000001 109.698 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.16 151.39 51.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.356 -1.498 . . . . 1.1200000000000001 109.356 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.15 140.14 57.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -1.071 . . . . 2.1099999999999999 110.176 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -108.14 146.52 32.57 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 109.006 -0.739 . . . . 0.64000000000000001 109.006 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.35 137.15 43.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.2 -0.938 . . . . 0.48999999999999999 109.642 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -87.94 153.36 21.36 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.826 -0.805 . . . . 0.46999999999999997 108.826 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.6 tp -145.17 134.3 22.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.032 . . . . 0.41999999999999998 109.588 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -84.51 126.9 33.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 1.8100000000000001 109.072 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 119.96 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.438 -0.789 . . . . 0.41999999999999998 109.465 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -77.55 143.49 38.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 2.3500000000000001 110.172 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 124.68 1.43 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.158 -1.177 . . . . 0.40999999999999998 110.158 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -67.73 -40.07 84.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.371 -1.076 . . . . 2.5899999999999999 109.391 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.49 94.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.997 . . . . 2.54 109.025 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.74 -39.98 93.5 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.404 -0.81 . . . . 3.3900000000000001 108.985 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.84 -49.57 77.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.46999999999999997 109.39 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.9 -41.53 87.44 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.1 -1.0 . . . . 1.6599999999999999 108.367 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 51.7 ttp -61.58 -50.13 73.84 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.595 -0.691 . . . . 0.60999999999999999 109.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.3 -40.23 95.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.396 -0.815 . . . . 0.33000000000000002 108.843 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.213 -0.929 . . . . 3.2799999999999998 108.878 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -48.7 80.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.272 -0.892 . . . . 1.78 108.636 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.83 -44.78 96.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.238 -0.914 . . . . 0.38 108.762 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.28 -49.71 76.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.256 -0.903 . . . . 1.2 108.927 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.605 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.61 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.76 -49.98 75.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.309 -0.869 . . . . 0.26000000000000001 109.179 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.07 -41.63 96.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.088 -1.008 . . . . 0.40000000000000002 109.36 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.92 95.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 109.034 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.67 -46.94 88.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.75 108.808 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.14 -39.94 88.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -0.82 . . . . 2.1899999999999999 109.203 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.86 -39.99 87.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 1.3400000000000001 109.648 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.05 92.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.71999999999999997 109.608 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -80.56 -11.63 59.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 1.8 109.724 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -10.3 59.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.256 -0.903 . . . . 1.3899999999999999 109.289 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.01 -78.37 0.8 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.916 -1.274 . . . . 1.6599999999999999 109.916 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -85.64 143.06 28.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -1.15 . . . . 4.4500000000000002 109.654 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.6 149.67 69.88 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.205 -0.934 . . . . 6.1900000000000004 108.561 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.76 146.73 53.86 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.024 1.149 . . . . 5.5800000000000001 110.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 118.092 -1.393 . . . . 6.9000000000000004 109.873 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.471 -0.566 . . . . 7.3600000000000003 109.471 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.0 tptt 58.23 43.1 20.87 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 7.1500000000000004 109.543 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 46.31 69.96 2.32 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 6.5 110.22 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -61.21 159.46 30.54 Favored 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.476 1.451 . . . . 4.5 109.086 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.93 111.95 18.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.093 -1.005 . . . . 4.3200000000000003 109.735 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.95 170.78 15.82 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.533 -0.73 . . . . 2.46 109.893 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.65 150.89 49.49 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.336 -1.506 . . . . 0.96999999999999997 109.336 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.11 140.59 56.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -1.122 . . . . 1.6699999999999999 110.121 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -108.34 146.8 32.45 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.825 -0.806 . . . . 0.60999999999999999 108.825 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -134.45 137.65 44.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.229 -0.919 . . . . 0.56000000000000005 109.726 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -88.86 152.67 21.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 0.42999999999999999 108.731 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -144.38 134.18 23.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.192 -0.943 . . . . 0.34999999999999998 109.469 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -84.3 127.28 33.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.356 -0.84 . . . . 1.3700000000000001 108.794 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.13 119.93 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.437 -0.789 . . . . 0.47999999999999998 109.404 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -77.72 143.57 37.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.366 -0.834 . . . . 2.0800000000000001 110.047 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.86 124.64 1.28 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.11 -1.196 . . . . 0.40000000000000002 110.11 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.47 -40.1 85.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -1.085 . . . . 2.6400000000000001 109.315 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.94 -42.44 94.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 2.2200000000000002 108.86 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.67 -40.04 93.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.369 -0.832 . . . . 2.7400000000000002 109.05 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.99 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.491 -0.756 . . . . 0.42999999999999999 109.21 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.53 -41.48 85.62 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.306 -0.998 . . . . 1.6899999999999999 108.306 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 54.3 ttp -62.05 -49.6 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.521 -0.737 . . . . 0.42999999999999999 109.347 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.85 -40.1 96.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.27000000000000002 109.02 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.31 -45.1 92.23 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.269 -0.894 . . . . 2.4500000000000002 108.721 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -48.29 82.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.749 -0.834 . . . . 1.75 108.749 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.11 -45.01 95.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.31 108.869 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.19 -49.75 76.4 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.41 -0.806 . . . . 1.22 109.012 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.75 -39.91 90.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 1.73 109.455 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.61 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.75 -49.83 76.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.251 -0.906 . . . . 0.28000000000000003 109.379 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.25 -41.96 97.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.031 -1.043 . . . . 0.31 109.246 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.95 95.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 1.9099999999999999 108.786 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.06 -47.22 86.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.42999999999999999 108.923 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.27 -39.85 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.452 -0.78 . . . . 1.5700000000000001 109.101 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.05 -39.8 87.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 1.4399999999999999 109.345 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.19 95.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.64000000000000001 109.709 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -79.98 -11.23 59.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 1.21 109.639 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.19 -9.78 58.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.279 -0.888 . . . . 1.22 109.428 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.65 -76.9 0.91 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.905 -1.278 . . . . 1.5 109.905 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -87.07 143.07 27.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 4.1799999999999997 109.499 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.97 149.03 75.48 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 5.6699999999999999 108.936 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -54.34 147.86 44.44 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 121.017 1.145 . . . . 5.6500000000000004 110.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.407 -1.477 . . . . 7.2699999999999996 109.407 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' LYS . 96.0 mttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.315 -0.624 . . . . 7.3300000000000001 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' LYS . 67.7 mttm 50.11 -177.99 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 7.21 109.233 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 62.7 mttp 48.71 59.91 16.33 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 6.4699999999999998 110.309 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 1.1 Cg_endo -61.42 153.91 62.68 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 121.176 1.251 . . . . 4.5300000000000002 109.577 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -81.05 126.45 31.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.085 -1.01 . . . . 4.3499999999999996 108.817 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.95 119.34 23.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.141 -0.974 . . . . 2.48 109.543 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.519 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -70.94 147.92 43.84 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.049 -1.62 . . . . 0.97999999999999998 109.049 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.26 132.5 53.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.951 -1.323 . . . . 1.7 109.036 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.519 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 98.0 m-85 -109.1 144.23 37.42 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.384 -0.822 . . . . 0.60999999999999999 109.635 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.47 139.57 44.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.318 -0.864 . . . . 0.57999999999999996 109.461 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.56 150.41 23.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.41999999999999998 108.797 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -145.9 131.42 18.76 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.075 -1.016 . . . . 0.35999999999999999 109.789 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.26 129.6 35.02 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.605 -0.887 . . . . 1.3700000000000001 108.605 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.26 121.2 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.41 -0.806 . . . . 0.46999999999999997 110.028 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HG2' HH11 ' A' ' 15' ' ' ARG . 40.7 ttt-85 -75.38 142.51 43.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.481 -0.762 . . . . 2.1000000000000001 110.423 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.49 119.68 1.37 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.176 -1.17 . . . . 0.41999999999999998 110.176 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 17' ' ' ARG . 40.1 ttt-85 -62.5 -42.89 99.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -1.134 . . . . 2.6800000000000002 109.269 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -41.55 92.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.182 -0.949 . . . . 2.2200000000000002 109.068 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.43 -0.794 . . . . 2.77 109.247 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.79 -49.81 76.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.347 -0.846 . . . . 0.42999999999999999 109.647 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.62 89.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.037 -1.039 . . . . 1.6599999999999999 108.782 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.2 ttp -62.49 -50.0 73.14 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.417 -0.802 . . . . 0.44 109.575 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.23 -39.98 94.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.28999999999999998 109.32 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.93 -42.53 94.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 2.4399999999999999 108.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.01 -47.34 86.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.883 -0.784 . . . . 1.74 108.883 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.64 -45.85 92.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.29999999999999999 109.656 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.99 -49.88 75.93 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.174 -0.954 . . . . 1.22 109.29 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.1 tt0 -60.52 -40.13 90.32 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.209 -0.932 . . . . 1.72 110.038 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.99 -50.13 74.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 0.27000000000000002 110.018 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.5 -41.31 97.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.01 . . . . 0.28999999999999998 109.109 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.067 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.87 -49.95 75.68 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.683 -0.858 . . . . 0.40999999999999998 108.683 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.96 -40.07 87.76 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 1.5600000000000001 109.699 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.21 -39.67 87.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -0.883 . . . . 1.4299999999999999 109.49 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.64 85.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 0.66000000000000003 109.607 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -79.6 -10.98 59.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.141 -0.974 . . . . 1.1799999999999999 109.462 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -70.02 -17.93 63.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.23 109.723 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.97 33.54 0.9 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.589 -1.404 . . . . 1.54 109.589 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 37' ' ' ALA . 49.6 tptt -86.09 -74.97 0.4 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -1.222 . . . . 4.1799999999999997 109.222 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' A' ' 42' ' ' GLY . 32.1 mt-10 -58.97 148.09 71.4 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 5.71 109.121 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -63.63 9.81 0.12 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.08 1.187 . . . . 5.6100000000000003 110.43 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.411 0 CA-C-O 118.026 -1.43 . . . . 7.2400000000000002 109.591 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.269 0.557 . . . . 7.3399999999999999 109.551 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 1' ' ' LYS . 67.6 mttm 48.81 -177.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.366 -0.834 . . . . 7.1699999999999999 109.534 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' B' ' 4' ' ' PRO . 63.0 mttp 48.88 60.2 15.97 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.14 -0.975 . . . . 6.4400000000000004 110.166 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' B' ' 3' ' ' LYS . 1.1 Cg_endo -61.49 153.9 63.13 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.275 1.317 . . . . 4.54 109.682 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.41 125.36 30.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 4.3200000000000003 108.75 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.12 121.75 26.49 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.95 . . . . 2.4700000000000002 109.516 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.523 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -74.07 147.02 37.29 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.13 -1.588 . . . . 0.94999999999999996 109.13 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.22 131.59 51.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -1.193 . . . . 1.6100000000000001 109.083 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 98.1 m-85 -108.16 145.03 34.76 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.553 -0.717 . . . . 0.56999999999999995 109.515 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.99 138.99 42.83 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.338 -0.851 . . . . 0.53000000000000003 109.507 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 70.2 p -88.18 150.75 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.221 -0.925 . . . . 0.38 108.805 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -145.92 131.73 19.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.209 -0.932 . . . . 0.35999999999999999 109.705 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.68 129.41 34.95 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.585 -0.894 . . . . 1.3600000000000001 108.585 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 120.49 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.489 -0.757 . . . . 0.48999999999999999 109.986 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' B' ' 15' ' ' ARG . 42.0 ttt-85 -74.92 142.59 43.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 2.1000000000000001 110.284 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 119.41 1.34 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.256 -1.138 . . . . 0.44 110.256 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -62.51 -42.68 99.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -1.155 . . . . 2.7200000000000002 109.232 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.09 -41.48 92.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.108 -0.995 . . . . 2.21 109.042 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -60.04 -40.09 88.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.307 -0.871 . . . . 2.79 109.262 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -58.48 -49.61 76.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.435 -0.791 . . . . 0.45000000000000001 109.619 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.89 -41.15 90.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.057 -1.027 . . . . 1.6799999999999999 108.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.16 -50.09 73.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.451 -0.78 . . . . 0.42999999999999999 109.585 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.81 -41.3 97.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -0.821 . . . . 0.28000000000000003 109.419 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.03 -42.31 89.87 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.108 -0.995 . . . . 2.52 108.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.303 -0.873 . . . . 1.75 108.778 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.71 -45.84 92.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.273 -0.892 . . . . 0.31 109.54 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.98 -49.2 78.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.038 -1.039 . . . . 1.21 109.47 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.05 -40.26 92.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.413 -0.804 . . . . 1.6899999999999999 109.894 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.86 -50.02 75.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.27000000000000002 109.831 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.5 -41.72 97.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.114 -0.991 . . . . 0.29999999999999999 109.276 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.17 -39.44 90.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 1.9299999999999999 109.098 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.88 -49.8 76.26 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.072 -0.714 . . . . 0.40000000000000002 109.072 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.466 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 34.8 ttmt -60.7 -40.37 91.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.323 -0.861 . . . . 1.5900000000000001 109.345 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -40.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.327 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.42 85.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.419 -0.801 . . . . 0.65000000000000002 109.551 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -79.84 -10.55 59.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.17 -0.956 . . . . 1.1899999999999999 109.529 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -70.13 -18.27 63.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 1.22 109.558 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.63 32.59 0.86 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.729 -1.348 . . . . 1.53 109.729 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' B' ' 37' ' ' ALA . 49.5 tptt -85.05 -75.56 0.35 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -1.109 . . . . 4.21 109.056 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 42' ' ' GLY . 30.6 mt-10 -57.74 148.07 59.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.275 -0.891 . . . . 5.6799999999999997 109.278 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -64.14 9.91 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 121.141 1.227 . . . . 5.5700000000000003 110.433 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' B' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.493 2.483 0 CA-C-O 118.016 -1.436 . . . . 7.2000000000000002 109.666 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' C' ' 2' ' ' LYS . 95.6 mttt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.586 -0.524 . . . . 8.9600000000000009 109.586 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' C' ' 1' ' ' LYS . 67.8 mttm 49.63 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 8.1500000000000004 109.176 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 63.2 mttp 49.15 60.0 16.22 Favored Pre-proline 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 7.1500000000000004 110.204 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.5 153.12 68.66 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 121.185 1.257 . . . . 4.3499999999999996 109.509 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 77.3 mt -80.59 126.5 31.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 4.6299999999999999 108.889 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -82.1 119.18 23.7 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.044 -1.035 . . . . 2.8500000000000001 109.661 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -70.73 146.74 42.33 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.323 -1.511 . . . . 1.1200000000000001 109.323 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.05 132.41 53.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.029 -1.277 . . . . 2.1099999999999999 109.084 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 97.9 m-85 -109.49 144.92 37.08 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.474 -0.766 . . . . 0.64000000000000001 109.57 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.3 138.87 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.327 -0.858 . . . . 0.48999999999999999 109.531 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -88.11 150.23 23.47 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.77 -0.826 . . . . 0.46999999999999997 108.77 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.41 131.49 19.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.177 -0.952 . . . . 0.41999999999999998 109.686 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.38 129.28 34.98 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.549 -0.908 . . . . 1.8100000000000001 108.549 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.06 121.47 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.308 -0.87 . . . . 0.41999999999999998 109.843 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -75.16 143.34 43.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.555 -0.716 . . . . 2.3500000000000001 110.254 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.95 119.71 1.25 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 110.381 -1.088 . . . . 0.40999999999999998 110.381 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -62.68 -43.42 98.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -1.076 . . . . 2.5899999999999999 109.194 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.93 -41.53 91.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.123 -0.986 . . . . 2.54 109.156 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.07 -39.79 87.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.481 -0.762 . . . . 3.3900000000000001 109.39 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -58.83 -49.63 76.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.46999999999999997 109.713 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -41.34 91.49 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.147 -0.971 . . . . 1.6599999999999999 108.681 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.0 -50.04 73.62 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.229 -0.919 . . . . 0.60999999999999999 109.585 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.73 -40.57 95.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.33000000000000002 109.45 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.39 -42.66 92.24 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.407 -0.808 . . . . 3.2799999999999998 108.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.19 -47.22 86.88 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.327 -0.858 . . . . 1.78 108.842 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.77 -45.32 94.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 0.38 109.614 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -60.02 -49.98 75.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 1.2 109.514 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.33 -40.52 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.401 -0.812 . . . . 2.1200000000000001 109.946 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.92 -49.83 76.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.089 -1.007 . . . . 0.26000000000000001 109.91 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.64 -41.99 98.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.012 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.7 -39.63 89.23 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.89 . . . . 2.0899999999999999 109.142 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.41 -49.94 75.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.376 -0.827 . . . . 0.75 109.148 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' LYS . . . . . 0.526 ' HZ1' ' HB3' ' D' ' 28' ' ' GLU . 35.5 ttmt -60.28 -40.17 89.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 2.1899999999999999 109.326 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.11 -40.01 88.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 1.3400000000000001 109.544 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.55 83.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.194 -0.941 . . . . 0.71999999999999997 109.694 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -80.08 -10.67 59.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.085 -1.01 . . . . 1.8 109.511 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -70.21 -19.83 63.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 1.3899999999999999 109.622 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.63 32.53 0.71 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.629 -1.388 . . . . 1.6599999999999999 109.629 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' C' ' 37' ' ' ALA . 49.0 tptt -84.44 -74.21 0.39 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.212 -1.169 . . . . 4.4500000000000002 109.086 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' C' ' 42' ' ' GLY . 35.0 mt-10 -59.1 148.16 72.14 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.108 -0.995 . . . . 6.1900000000000004 109.325 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -63.27 8.88 0.12 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 121.212 1.274 . . . . 5.5800000000000001 110.338 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' C' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.405 0 CA-C-O 118.184 -1.342 . . . . 6.9000000000000004 109.904 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 2' ' ' LYS . 95.8 mttt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.128 -0.693 . . . . 7.3600000000000003 109.128 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 1' ' ' LYS . 67.6 mttm 49.47 -177.8 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 7.1500000000000004 109.498 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 63.6 mttp 48.41 60.74 15.08 Favored Pre-proline 0 C--N 1.302 -1.465 0 O-C-N 121.167 -0.958 . . . . 6.5 110.204 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -62.09 153.4 69.53 Favored 'Trans proline' 0 C--N 1.318 -1.069 0 C-N-CA 121.35 1.367 . . . . 4.5 109.7 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.98 126.96 32.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.07 -1.019 . . . . 4.3200000000000003 108.751 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.0 119.48 24.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 2.46 109.641 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -71.46 146.96 41.49 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.309 -1.516 . . . . 0.96999999999999997 109.309 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.42 132.23 53.25 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.19 -1.182 . . . . 1.6699999999999999 109.021 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' TYR . . . . . 0.531 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 97.9 m-85 -109.47 144.38 37.78 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.394 -0.816 . . . . 0.60999999999999999 109.693 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.45 140.46 44.88 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.367 -0.833 . . . . 0.56000000000000005 109.506 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -89.24 151.04 22.36 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.783 -0.821 . . . . 0.42999999999999999 108.783 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.28 131.84 18.78 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.109 -0.994 . . . . 0.34999999999999998 109.559 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -83.81 129.49 34.94 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.613 -0.884 . . . . 1.3700000000000001 108.613 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.95 121.2 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.559 -0.713 . . . . 0.47999999999999998 109.799 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -75.23 142.99 43.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.588 -0.695 . . . . 2.0800000000000001 110.078 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.58 119.93 1.2 Allowed Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.573 -1.011 . . . . 0.40000000000000002 110.573 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.433 -1.039 . . . . 2.6400000000000001 109.166 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.26 -40.89 91.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.903 . . . . 2.2200000000000002 108.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 2.7400000000000002 109.32 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.59 -49.54 77.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.453 -0.78 . . . . 0.42999999999999999 109.72 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.86 -40.89 90.17 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.955 -1.091 . . . . 1.6899999999999999 108.847 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 65.6 ttp -62.45 -50.07 72.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.402 -0.811 . . . . 0.42999999999999999 109.63 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.88 -40.37 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.472 -0.767 . . . . 0.27000000000000002 109.254 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.46 -42.69 92.56 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.298 -0.876 . . . . 2.4500000000000002 108.851 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' GLU . . . . . 0.518 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 54.1 tp10 -60.14 -46.99 87.79 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 1.75 108.816 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -61.56 -46.22 90.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.31 109.651 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -59.88 -50.09 75.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 1.22 109.428 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' GLU . . . . . 0.526 ' HB3' ' HZ1' ' C' ' 33' ' ' LYS . 87.1 tt0 -60.08 -40.28 89.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.26 -0.9 . . . . 1.73 109.798 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.01 -50.44 73.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.101 -0.999 . . . . 0.28000000000000003 109.903 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.73 -42.69 97.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.161 -0.962 . . . . 0.31 109.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.25 -39.87 88.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.085 -1.01 . . . . 1.9099999999999999 109.174 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.858 . . . . 0.42999999999999999 108.873 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.08 -40.25 88.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.2 -0.938 . . . . 1.5700000000000001 109.396 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.94 -40.09 87.76 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.133 -0.979 . . . . 1.4399999999999999 109.477 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.99 84.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.64000000000000001 109.676 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -79.79 -10.66 59.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 1.21 109.455 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.92 . . . . 1.22 109.742 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.4 33.34 0.81 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.568 -1.413 . . . . 1.5 109.568 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' D' ' 37' ' ' ALA . 49.1 tptt -85.55 -74.12 0.42 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.395 -1.062 . . . . 4.1799999999999997 109.049 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 40' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' D' ' 42' ' ' GLY . 29.4 mt-10 -59.86 147.6 78.66 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 5.6699999999999999 109.491 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -62.78 9.62 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 121.13 1.22 . . . . 5.6500000000000004 110.428 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' D' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 118.104 -1.387 . . . . 7.2699999999999996 109.646 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.3 tttp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.051 -0.722 . . . . 7.3300000000000001 109.051 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp 52.72 61.7 3.06 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.22 -0.925 . . . . 7.21 109.815 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.9 tttp 70.99 72.25 0.28 Allowed Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 121.707 -0.621 . . . . 6.4699999999999998 109.932 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -65.04 -159.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 121.428 1.419 . . . . 4.5300000000000002 109.614 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.05 143.35 37.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 4.3499999999999996 109.29 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.16 -12.9 59.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 2.48 109.36 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 98.08 0.61 Allowed Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.528 -1.429 . . . . 0.97999999999999998 109.528 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.35 139.95 58.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.161 -1.199 . . . . 1.7 109.538 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -100.69 140.99 34.18 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.568 -0.707 . . . . 0.60999999999999999 109.564 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -130.17 140.28 50.78 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.449 -0.782 . . . . 0.57999999999999996 109.794 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -90.5 157.83 17.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.153 -0.967 . . . . 0.41999999999999998 108.469 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.3 129.32 13.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 0.35999999999999999 109.532 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -84.52 128.68 34.72 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.318 -0.993 . . . . 1.3700000000000001 108.318 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.29 120.04 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.505 0.669 . . . . 0.46999999999999997 109.247 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 15' ' ' ARG . 38.4 ttt-85 -78.54 146.47 34.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.476 -0.765 . . . . 2.1000000000000001 110.374 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 121.07 0.54 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.597 -1.001 . . . . 0.41999999999999998 110.597 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.15 -39.99 94.48 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.332 -1.099 . . . . 2.6800000000000002 109.157 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.81 -43.68 94.36 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.634 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 42.2 ttm180 -60.24 -40.6 90.81 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.116 -0.99 . . . . 2.77 108.595 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -59.99 -44.95 94.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.42999999999999999 109.147 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -41.97 93.3 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 108.837 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -63.1 -52.43 62.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.529 -0.915 . . . . 0.44 108.529 179.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.42 -39.97 89.34 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.643 -0.873 . . . . 0.28999999999999998 108.643 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HG2' HH11 ' A' ' 24' ' ' ARG . 3.9 ttt-85 -58.27 -49.5 76.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.003 -0.74 . . . . 2.4399999999999999 109.003 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.282 -0.886 . . . . 1.74 109.475 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.23 -40.99 97.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.298 -0.876 . . . . 0.29999999999999999 109.908 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.33 -50.18 74.64 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.949 -1.094 . . . . 1.22 109.394 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.94 -39.78 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.371 -0.83 . . . . 1.72 109.656 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.12 -49.83 76.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.882 . . . . 0.27000000000000002 109.429 -179.32 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.13 -43.99 97.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 0.28999999999999998 109.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.12 93.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.307 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -49.45 77.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.815 . . . . 0.40999999999999998 109.317 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -60.44 -48.93 79.6 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.205 -0.934 . . . . 1.5600000000000001 109.545 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.408 -0.807 . . . . 1.4299999999999999 110.191 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.66000000000000003 109.793 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.8 mt-30 -85.64 -6.87 59.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.437 -0.789 . . . . 1.1799999999999999 109.974 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.48 63.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.192 -0.942 . . . . 1.23 109.862 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.34 1.23 61.37 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.619 -1.392 . . . . 1.54 109.619 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -86.83 -75.82 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.231 -1.158 . . . . 4.1799999999999997 109.749 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.57 148.86 53.99 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 5.71 109.493 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -56.33 157.69 17.38 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 121.023 1.148 . . . . 5.6100000000000003 109.84 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.124 -1.591 . . . . 7.2400000000000002 109.124 179.829 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.392 0.615 . . . . 7.3399999999999999 109.689 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 59.3 mttp 50.89 60.81 3.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 7.1699999999999999 110.101 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' B' ' 2' ' ' LYS . 34.7 tttp 72.09 71.9 0.27 Allowed Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.582 -0.699 . . . . 6.4400000000000004 109.822 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.62 -157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.258 1.306 . . . . 4.54 109.626 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.46 142.92 35.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 4.3200000000000003 109.378 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -80.51 -11.08 59.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 2.4700000000000002 109.6 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.91 97.59 0.74 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.261 -1.535 . . . . 0.94999999999999996 109.261 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.6 139.84 58.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -1.143 . . . . 1.6100000000000001 109.449 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -100.64 140.91 34.24 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.212 -0.93 . . . . 0.56999999999999995 109.627 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -130.68 139.37 50.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.415 -0.803 . . . . 0.53000000000000003 109.716 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.82 155.35 19.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.294 -0.879 . . . . 0.38 108.71 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.23 129.63 15.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.964 -1.085 . . . . 0.35999999999999999 109.596 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.99 128.36 34.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.348 -0.982 . . . . 1.3600000000000001 108.348 179.214 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 119.55 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.428 -0.795 . . . . 0.48999999999999999 109.095 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -77.62 146.47 36.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.458 -0.776 . . . . 2.1000000000000001 110.131 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.97 120.15 0.46 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.813 -0.915 . . . . 0.44 110.813 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -61.09 -39.88 91.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.44 -1.035 . . . . 2.7200000000000002 109.059 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.95 -43.68 94.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 2.21 108.749 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.544 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.4 ttm180 -60.4 -40.75 92.06 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.59 -0.893 . . . . 2.79 108.59 179.102 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.04 -45.18 93.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.335 -0.853 . . . . 0.45000000000000001 109.251 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -41.32 91.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.679 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 ttm -63.6 -52.1 62.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 108.526 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.07 -40.09 92.34 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.405 -0.961 . . . . 0.28000000000000003 108.405 179.272 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.496 ' HG2' HH11 ' B' ' 24' ' ' ARG . 3.2 ttt-85 -57.77 -49.89 75.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.537 -0.727 . . . . 2.52 109.117 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.13 -46.92 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 1.75 109.751 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.53 -41.67 98.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.31 109.729 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -60.12 -50.52 73.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 1.21 109.469 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 24' ' ' ARG . 0.3 OUTLIER -62.6 -39.7 94.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 1.6899999999999999 109.437 179.319 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.35 -50.15 75.07 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.176 -0.952 . . . . 0.27000000000000002 109.476 -179.29 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.15 -44.65 97.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.991 -1.068 . . . . 0.29999999999999999 109.203 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.33 -39.89 92.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 1.9299999999999999 109.372 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.27 -49.58 77.03 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.423 -0.798 . . . . 0.40000000000000002 109.153 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -60.21 -48.85 79.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.211 -0.931 . . . . 1.5900000000000001 109.438 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.9 m-20 -59.75 -40.2 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 110.205 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.028 -1.045 . . . . 0.65000000000000002 109.984 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.8 mt-30 -85.45 -7.06 59.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.226 -0.921 . . . . 1.1899999999999999 110.057 -179.551 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.59 63.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 1.22 109.698 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 2.07 59.15 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.409 -1.476 . . . . 1.53 109.409 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -87.92 -75.42 0.42 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.246 -1.149 . . . . 4.21 109.761 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.92 148.61 58.71 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.303 -0.873 . . . . 5.6799999999999997 109.338 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -55.85 158.22 14.44 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 120.872 1.048 . . . . 5.5700000000000003 109.702 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 117.978 -1.456 . . . . 7.2000000000000002 109.495 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.236 -0.653 . . . . 8.9600000000000009 109.236 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' C' ' 3' ' ' LYS . 59.4 mttp 52.45 60.32 3.89 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.873 . . . . 8.1500000000000004 110.12 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' C' ' 2' ' ' LYS . 34.7 tttp 72.72 71.57 0.26 Allowed Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 121.627 -0.671 . . . . 7.1500000000000004 109.75 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.85 -159.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -1.003 0 C-N-CA 121.336 1.358 . . . . 4.3499999999999996 109.594 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 87.6 mt -77.89 143.79 37.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 4.6299999999999999 109.36 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -80.87 -12.84 59.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.376 -0.828 . . . . 2.8500000000000001 109.422 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.28 98.28 0.64 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.321 -1.512 . . . . 1.1200000000000001 109.321 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.57 139.9 58.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -1.077 . . . . 2.1099999999999999 109.428 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.74 140.65 34.72 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.864 . . . . 0.64000000000000001 109.83 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.01 138.23 49.56 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.436 -0.79 . . . . 0.48999999999999999 110.045 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.9 p -88.13 157.56 18.8 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.83 -0.804 . . . . 0.46999999999999997 108.83 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.46 129.15 13.21 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.07 -1.019 . . . . 0.41999999999999998 109.664 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.73 129.15 34.95 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.399 -0.963 . . . . 1.8100000000000001 108.399 178.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.23 119.92 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.459 -0.776 . . . . 0.41999999999999998 109.227 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -78.78 146.39 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.495 -0.753 . . . . 2.3500000000000001 110.231 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.0 120.65 0.48 Allowed Glycine 0 N--CA 1.491 2.345 0 C-N-CA 120.267 -0.968 . . . . 0.40999999999999998 110.787 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -61.28 -39.98 92.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.528 -0.984 . . . . 2.5899999999999999 109.218 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.11 -43.04 95.89 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.642 -0.873 . . . . 2.54 108.642 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -61.14 -40.7 94.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.29 -1.004 . . . . 3.3900000000000001 108.29 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.75 -45.76 91.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.46999999999999997 109.282 179.334 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.86 -41.97 92.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 1.6599999999999999 108.754 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -62.62 -52.4 63.5 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.422 -0.955 . . . . 0.60999999999999999 108.422 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -60.55 -40.0 89.96 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.82 -0.807 . . . . 0.33000000000000002 108.82 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 24' ' ' ARG . . . . . 0.526 HH11 ' HG2' ' C' ' 24' ' ' ARG . 3.9 ttt-85 -58.6 -48.89 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.497 -0.752 . . . . 3.2799999999999998 109.034 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.19 -48.14 82.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 1.78 109.322 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.65 -41.29 98.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.38 109.98 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -60.06 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 1.2 109.587 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' C' ' 24' ' ' ARG . 0.4 OUTLIER -63.26 -39.2 93.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 2.1200000000000001 109.545 179.613 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.635 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.74 -50.45 73.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.323 -0.86 . . . . 0.26000000000000001 109.459 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.76 -45.73 93.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.982 -1.074 . . . . 0.40000000000000002 108.977 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.65 90.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 2.0899999999999999 109.739 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -49.44 77.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 0.75 109.248 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.13 -48.82 80.13 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.202 -0.936 . . . . 2.1899999999999999 109.359 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.3 m-20 -59.86 -40.13 87.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.525 -0.734 . . . . 1.3400000000000001 110.428 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.2 95.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.239 -0.913 . . . . 0.71999999999999997 110.004 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 36' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' D' ' 36' ' ' GLN . 27.9 mt-30 -86.12 -7.02 58.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.314 -0.866 . . . . 1.8 109.906 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.04 -21.31 63.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 1.3899999999999999 109.835 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.02 -0.14 64.27 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.573 -1.411 . . . . 1.6599999999999999 109.573 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.43 -75.0 0.4 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.377 -1.072 . . . . 4.4500000000000002 109.917 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.14 148.4 61.88 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 6.1900000000000004 109.406 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -55.96 158.2 14.85 Favored 'Trans proline' 0 C--O 1.215 -0.635 0 C-N-CA 120.965 1.11 . . . . 5.5800000000000001 109.553 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.996 -1.447 . . . . 6.9000000000000004 109.67 -179.823 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.398 0.618 . . . . 7.3600000000000003 109.497 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 50.6 62.11 2.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 7.1500000000000004 110.061 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 tttp 71.34 71.7 0.29 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.56 -0.712 . . . . 6.5 109.957 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.68 -158.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 121.417 1.412 . . . . 4.5 109.628 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.57 143.84 36.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.271 -0.893 . . . . 4.3200000000000003 109.13 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -80.9 -12.54 59.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.227 -0.921 . . . . 2.46 109.45 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.84 97.72 0.65 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.418 -1.473 . . . . 0.96999999999999997 109.418 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.67 140.0 58.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.381 -1.07 . . . . 1.6699999999999999 109.579 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.79 141.37 33.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.517 -0.739 . . . . 0.60999999999999999 109.319 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.48 138.84 49.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.532 -0.73 . . . . 0.56000000000000005 109.737 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.05 157.48 18.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.193 -0.942 . . . . 0.42999999999999999 108.581 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -148.97 130.06 14.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.899 -1.126 . . . . 0.34999999999999998 109.301 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -85.57 128.31 34.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.13 -0.981 . . . . 1.3700000000000001 108.421 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.12 119.08 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.47999999999999998 109.329 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -76.99 146.69 37.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.633 -0.667 . . . . 2.0800000000000001 110.204 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.01 120.45 0.47 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.82 -0.912 . . . . 0.40000000000000002 110.82 178.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -61.81 -39.89 93.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.495 -1.003 . . . . 2.6400000000000001 108.677 178.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -42.67 95.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.872 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.4 ttm180 -61.48 -40.43 94.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.026 -1.046 . . . . 2.7400000000000002 108.593 179.088 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.98 -45.4 92.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.409 -0.807 . . . . 0.42999999999999999 109.25 179.326 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -42.23 93.65 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.141 -0.975 . . . . 1.6899999999999999 108.621 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttm -62.12 -52.93 61.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.221 -0.924 . . . . 0.42999999999999999 108.529 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.53 -39.95 89.71 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.487 -0.931 . . . . 0.27000000000000002 108.487 179.23 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 24' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' D' ' 24' ' ' ARG . 3.6 ttt-85 -58.33 -49.57 76.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.401 -0.812 . . . . 2.4500000000000002 109.076 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -47.72 84.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.322 -0.861 . . . . 1.75 109.548 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.31 109.983 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -60.29 -49.84 76.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.035 -1.04 . . . . 1.22 109.572 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -39.79 95.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.462 -0.774 . . . . 1.73 109.285 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.635 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.24 -50.53 73.66 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.308 -0.87 . . . . 0.28000000000000003 109.339 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.76 -45.22 95.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.122 -0.986 . . . . 0.31 108.999 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.56 -40.08 90.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.9099999999999999 110.005 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.2 -49.27 78.31 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.274 -0.891 . . . . 0.42999999999999999 109.379 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -60.4 -48.76 80.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 1.5700000000000001 109.475 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 34' ' ' ASP . . . . . 0.544 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.516 -0.74 . . . . 1.4399999999999999 110.04 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.81 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.22 -0.925 . . . . 0.64000000000000001 110.108 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 36' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' C' ' 36' ' ' GLN . 27.9 mt-30 -86.24 -6.96 58.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.21 109.896 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.87 63.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.204 -0.935 . . . . 1.22 109.713 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.17 1.2 60.82 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.576 -1.41 . . . . 1.5 109.576 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -86.97 -74.59 0.43 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.303 -1.116 . . . . 4.1799999999999997 109.816 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.62 148.55 74.36 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.212 -0.93 . . . . 5.6699999999999999 109.429 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.52 157.46 15.12 Favored 'Trans proline' 0 C--O 1.214 -0.712 0 C-N-CA 121.062 1.175 . . . . 5.6500000000000004 109.572 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.382 -1.487 . . . . 7.2699999999999996 109.382 179.781 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' LYS . 99.2 mttt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.522 -0.547 . . . . 7.3300000000000001 109.522 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' LYS . 84.2 tttt 55.78 164.41 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 7.21 109.111 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.9 mttt 50.49 62.49 11.57 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.89 -1.131 . . . . 6.4699999999999998 109.763 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -56.34 151.4 44.82 Favored 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.099 1.199 . . . . 4.5300000000000002 109.29 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -80.69 104.16 11.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.008 -1.057 . . . . 4.3499999999999996 109.07 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.27 -170.93 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 2.48 109.361 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.0 164.35 39.94 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.171 -1.572 . . . . 0.97999999999999998 109.171 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 139.92 57.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.357 -1.084 . . . . 1.7 109.979 -179.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.02 148.23 22.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.60999999999999999 109.047 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -135.08 136.43 42.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.289 -0.882 . . . . 0.57999999999999996 109.605 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.88 151.92 22.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.336 -0.853 . . . . 0.41999999999999998 109.035 179.522 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -146.84 131.15 17.52 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -0.956 . . . . 0.35999999999999999 109.676 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.66 129.99 34.97 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.4 -0.963 . . . . 1.3700000000000001 108.4 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 121.01 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.286 -0.884 . . . . 0.46999999999999997 109.976 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.57 141.91 44.72 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.306 0.574 . . . . 2.1000000000000001 110.339 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.37 126.28 0.95 Allowed Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.525 -1.03 . . . . 0.41999999999999998 110.525 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -66.57 -39.96 88.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.411 -1.052 . . . . 2.6800000000000002 109.32 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.06 -43.63 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.168 -0.957 . . . . 2.2200000000000002 109.331 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.401 HH12 ' CG ' ' C' ' 31' ' ' GLU . 41.7 ttm180 -60.12 -40.05 88.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 2.77 109.025 179.483 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.9 -48.92 79.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.42999999999999999 109.469 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.31 -43.54 92.64 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.004 -1.06 . . . . 1.6599999999999999 108.724 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 63.6 ttp -61.2 -49.71 76.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.307 -0.871 . . . . 0.44 109.178 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.86 -40.48 93.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.28999999999999998 109.189 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.36 -45.21 92.05 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.172 -0.955 . . . . 2.4399999999999999 108.562 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 1.74 108.899 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.01 -42.8 99.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.29999999999999999 109.431 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.943 . . . . 1.22 109.696 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.71 -40.17 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.72 109.521 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.65 -50.04 75.43 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.844 . . . . 0.27000000000000002 109.607 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.78 -44.44 96.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.082 -1.012 . . . . 0.28999999999999998 109.229 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HG2' HH12 ' C' ' 19' ' ' ARG . 98.9 mt-10 -60.56 -40.52 91.92 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.197 -0.94 . . . . 1.9099999999999999 109.239 179.247 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.37 -45.07 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.361 -0.837 . . . . 0.40999999999999998 108.865 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.5 -41.11 93.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 1.5600000000000001 109.619 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 88.3 m-20 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.4299999999999999 109.943 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.07 -26.72 67.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.66000000000000003 109.591 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -71.28 -37.34 71.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 1.1799999999999999 109.735 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -65.32 -39.29 92.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 1.23 109.808 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.43 54.38 0.46 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.695 -1.362 . . . . 1.54 109.695 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' ALA . 60.5 pttt -88.0 0.01 56.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.236 -1.155 . . . . 4.1799999999999997 109.283 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.95 148.19 50.82 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 5.71 109.108 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.84 143.14 92.06 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 120.942 1.095 . . . . 5.6100000000000003 109.72 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.421 -1.472 . . . . 7.2400000000000002 109.421 179.966 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' B' ' 2' ' ' LYS . 99.3 mttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 7.3399999999999999 109.408 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' B' ' 1' ' ' LYS . 84.7 tttt 56.06 163.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 7.1699999999999999 108.946 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 50.66 62.2 12.03 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 120.941 -1.1 . . . . 6.4400000000000004 109.812 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -56.48 151.32 46.35 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.215 1.277 . . . . 4.54 109.43 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.17 104.54 10.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.036 . . . . 4.3200000000000003 109.182 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -83.35 -175.15 5.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.434 -0.791 . . . . 2.4700000000000002 109.393 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.3 163.78 21.01 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.328 -1.509 . . . . 0.94999999999999996 109.328 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 139.95 57.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -1.126 . . . . 1.6100000000000001 109.828 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.22 148.91 21.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.56999999999999995 109.051 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.45 136.95 41.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.856 . . . . 0.53000000000000003 109.617 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.22 151.79 21.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.235 -0.916 . . . . 0.38 108.911 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -146.31 131.24 18.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.059 -1.025 . . . . 0.35999999999999999 109.538 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.83 130.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.457 -0.942 . . . . 1.3600000000000001 108.457 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -120.04 121.55 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.357 -0.839 . . . . 0.48999999999999999 110.098 -179.068 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -74.62 142.52 44.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.688 -0.632 . . . . 2.1000000000000001 110.309 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.37 128.33 0.93 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.719 -0.952 . . . . 0.44 110.719 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -68.1 -40.02 82.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.533 -0.981 . . . . 2.7200000000000002 109.361 179.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.02 -43.28 95.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 2.21 109.149 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.49 -39.94 89.53 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.447 -0.783 . . . . 2.79 108.933 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.98 -49.38 77.91 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.522 -0.737 . . . . 0.45000000000000001 109.59 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.15 -43.8 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.702 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.79 -49.31 78.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.444 -0.785 . . . . 0.42999999999999999 109.221 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.66 -40.35 94.61 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.369 -0.832 . . . . 0.28000000000000003 109.029 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.116 -0.99 . . . . 2.52 108.676 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.61 85.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.357 -0.839 . . . . 1.75 109.004 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.85 -42.72 99.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.31 109.444 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -59.89 -50.04 75.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 1.21 109.681 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.2 -40.06 96.42 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.904 . . . . 1.6899999999999999 109.447 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.64 -50.02 75.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.35 -0.844 . . . . 0.27000000000000002 109.524 -179.434 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.7 -44.59 96.64 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.077 -1.015 . . . . 0.29999999999999999 109.247 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.436 ' CG ' HH12 ' D' ' 19' ' ' ARG . 98.2 mt-10 -60.44 -40.94 92.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.206 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.95 -45.44 94.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 0.40000000000000002 108.754 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.32 -40.75 91.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 1.5900000000000001 109.595 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 93.9 m-20 -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -0.856 . . . . 1.4299999999999999 109.957 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.97 67.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 0.65000000000000002 109.524 -179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -70.64 -38.74 73.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 1.1899999999999999 109.664 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 39' ' ' LYS . . . -64.77 -37.86 89.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 1.22 109.815 -179.53 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.71 53.6 0.5 Allowed Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.794 -1.322 . . . . 1.53 109.794 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 37' ' ' ALA . 60.7 pttt -87.97 -0.79 57.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -1.204 . . . . 4.21 109.503 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -56.22 147.74 45.16 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 109.116 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.89 142.95 83.6 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 120.969 1.113 . . . . 5.5700000000000003 109.789 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.017 -1.435 . . . . 7.2000000000000002 109.549 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 2' ' ' LYS . 99.4 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.389 -0.597 . . . . 8.9600000000000009 109.389 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 1' ' ' LYS . 84.4 tttt 56.22 164.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.439 -0.788 . . . . 8.1500000000000004 109.015 -179.823 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 50.83 62.83 10.86 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.928 -1.108 . . . . 7.1500000000000004 109.82 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.52 150.22 52.94 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.237 1.291 . . . . 4.3499999999999996 109.438 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 89.8 mt -79.99 103.3 9.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.125 -0.985 . . . . 4.6299999999999999 109.243 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.18 -172.58 4.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.443 -0.786 . . . . 2.8500000000000001 109.449 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.51 164.13 34.57 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.335 -1.506 . . . . 1.1200000000000001 109.335 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.07 139.91 57.17 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.326 -1.103 . . . . 2.1099999999999999 110.003 -179.207 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.89 148.9 21.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 0.64000000000000001 109.0 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.71 136.82 41.17 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.346 -0.846 . . . . 0.48999999999999999 109.625 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.21 152.25 21.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.46999999999999997 109.015 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.05 131.14 17.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.41999999999999998 109.532 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -83.49 130.21 35.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.188 -1.042 . . . . 1.8100000000000001 108.188 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.87 121.09 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.33 -0.857 . . . . 0.41999999999999998 110.033 -179.265 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -74.47 142.13 44.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.699 -0.626 . . . . 2.3500000000000001 110.407 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 126.34 0.87 Allowed Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.40999999999999998 110.648 178.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -66.52 -40.11 89.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -1.065 . . . . 2.5899999999999999 109.216 179.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.01 -43.39 95.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.134 -0.979 . . . . 2.54 109.111 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -60.29 -40.0 88.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.214 -0.928 . . . . 3.3900000000000001 108.974 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.12 -48.58 81.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.474 -0.766 . . . . 0.46999999999999997 109.505 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.1 -42.33 94.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.737 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.9 ttp -62.23 -48.91 77.86 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.394 -0.816 . . . . 0.60999999999999999 109.176 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.92 -40.54 95.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.475 -0.766 . . . . 0.33000000000000002 109.146 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.24 -44.96 92.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.223 -0.923 . . . . 3.2799999999999998 108.791 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.12 -47.69 84.85 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.239 -0.913 . . . . 1.78 108.871 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.82 -42.18 99.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.292 -0.88 . . . . 0.38 109.474 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.97 -49.92 75.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 1.2 109.665 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.46 -39.89 95.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.845 . . . . 2.1200000000000001 109.617 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.57 -50.02 75.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.26000000000000001 109.487 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.48 -44.62 96.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.40000000000000002 109.34 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.401 ' CG ' HH12 ' A' ' 19' ' ' ARG . 98.7 mt-10 -60.78 -41.01 94.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.893 . . . . 2.0899999999999999 109.159 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.99 -45.34 95.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.75 108.794 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.06 -40.82 90.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 2.1899999999999999 109.676 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -0.918 . . . . 1.3400000000000001 110.164 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.32 67.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.919 . . . . 0.71999999999999997 109.591 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.3 -38.87 75.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.233 -0.917 . . . . 1.8 109.537 -179.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' C' ' 39' ' ' LYS . . . -64.19 -39.03 93.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.922 . . . . 1.3899999999999999 109.8 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.62 54.22 0.33 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.838 -1.305 . . . . 1.6599999999999999 109.838 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 39' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' C' ' 37' ' ' ALA . 62.3 pttt -88.27 -1.07 57.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.226 -1.161 . . . . 4.4500000000000002 109.393 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -55.88 147.89 40.79 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.89 . . . . 6.1900000000000004 108.975 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.54 144.53 73.75 Favored 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 120.977 1.118 . . . . 5.5800000000000001 109.853 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.388 -1.485 . . . . 6.9000000000000004 109.388 179.645 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' D' ' 2' ' ' LYS . 99.4 mttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.219 -0.659 . . . . 7.3600000000000003 109.219 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' D' ' 1' ' ' LYS . 83.5 tttt 56.18 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 7.1500000000000004 109.118 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 80.1 mttt 50.44 62.22 12.07 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 120.886 -1.134 . . . . 6.5 109.797 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -56.54 151.24 47.24 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.103 1.202 . . . . 4.5 109.275 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.11 103.92 10.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.114 -0.991 . . . . 4.3200000000000003 109.241 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.55 -172.02 3.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.514 -0.741 . . . . 2.46 109.381 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.74 163.72 36.18 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.371 -1.492 . . . . 0.96999999999999997 109.371 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.0 139.49 57.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -1.006 . . . . 1.6699999999999999 109.994 -179.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -93.51 148.41 22.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.60999999999999999 109.189 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.27 136.21 41.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.355 -0.84 . . . . 0.56000000000000005 109.685 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -89.01 152.16 21.85 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.298 -0.877 . . . . 0.42999999999999999 108.891 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 tp -146.91 130.95 17.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 0.34999999999999998 109.57 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -83.35 130.12 35.03 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.398 -0.964 . . . . 1.3700000000000001 108.398 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.07 121.35 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.47999999999999998 109.909 -179.105 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.64 142.25 44.56 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.343 0.592 . . . . 2.0800000000000001 110.302 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.83 127.74 0.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.616 -0.993 . . . . 0.40000000000000002 110.616 178.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.85 -39.96 83.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -1.033 . . . . 2.6400000000000001 109.233 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.05 -43.68 95.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.112 -0.993 . . . . 2.2200000000000002 109.031 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.436 HH12 ' CG ' ' B' ' 31' ' ' GLU . 42.0 ttm180 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.276 -0.89 . . . . 2.7400000000000002 108.93 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.75 -48.68 80.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.403 -0.811 . . . . 0.42999999999999999 109.678 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.88 -43.28 94.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.051 . . . . 1.6899999999999999 108.839 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -61.21 -49.78 75.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.405 -0.809 . . . . 0.42999999999999999 109.039 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.96 -40.4 93.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.335 -0.853 . . . . 0.27000000000000002 109.163 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.5 -44.8 93.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.474 -0.935 . . . . 2.4500000000000002 108.474 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.14 -47.27 86.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.914 . . . . 1.75 108.88 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.47 -42.79 98.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.37 -0.831 . . . . 0.31 109.478 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -60.01 -50.09 75.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.253 -0.905 . . . . 1.22 109.571 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.05 -40.1 96.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.23 -0.919 . . . . 1.73 109.523 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.4 -49.92 75.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.377 -0.827 . . . . 0.28000000000000003 109.698 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.88 -44.04 97.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 0.31 109.295 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -41.1 94.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.017 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.78 -45.35 94.7 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.271 -0.893 . . . . 0.42999999999999999 108.992 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.14 -41.3 92.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.442 -0.786 . . . . 1.5700000000000001 109.575 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 1.4399999999999999 109.994 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.19 67.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.64000000000000001 109.528 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -70.65 -38.83 73.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 1.21 109.716 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 37' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' D' ' 39' ' ' LYS . . . -64.4 -38.74 92.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 1.22 109.786 -179.503 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.87 54.27 0.37 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.743 -1.343 . . . . 1.5 109.743 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 39' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' D' ' 37' ' ' ALA . 60.4 pttt -88.24 0.02 56.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.279 -1.13 . . . . 4.1799999999999997 109.483 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.06 146.87 67.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 5.6699999999999999 109.146 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -54.8 143.14 72.19 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 C-N-CA 121.002 1.135 . . . . 5.6500000000000004 109.722 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.385 -1.486 . . . . 7.2699999999999996 109.385 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.526 -0.546 . . . . 7.3300000000000001 109.526 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 50.02 -140.01 0.82 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 7.21 109.053 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 5' ' ' LEU . 63.5 tttm 52.18 68.3 3.27 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.943 -1.098 . . . . 6.4699999999999998 109.51 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.66 14.17 0.13 Allowed 'Trans proline' 0 C--N 1.319 -0.991 0 C-N-CA 121.623 1.549 . . . . 4.5300000000000002 110.314 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 3' ' ' LYS . 3.4 mm? -81.15 25.0 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.034 -1.041 . . . . 4.3499999999999996 109.231 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -76.76 160.27 29.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.48 109.363 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.78 148.55 51.14 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.256 -1.537 . . . . 0.97999999999999998 109.256 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 140.03 57.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -1.154 . . . . 1.7 110.063 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -98.25 146.65 25.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.5 -0.75 . . . . 0.60999999999999999 109.759 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -135.75 140.27 44.22 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.395 -0.816 . . . . 0.57999999999999996 109.884 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 p -89.72 151.37 21.88 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.293 -0.879 . . . . 0.41999999999999998 109.19 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.66 131.8 20.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.029 -1.045 . . . . 0.35999999999999999 109.572 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -83.17 128.36 34.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 109.039 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.56 120.51 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.458 -0.776 . . . . 0.46999999999999997 109.71 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.47 143.51 44.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.438 -0.789 . . . . 2.1000000000000001 110.512 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.1 124.04 0.9 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.821 -0.912 . . . . 0.41999999999999998 110.821 178.505 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NH1' ' CD2' ' A' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -40.86 96.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -1.102 . . . . 2.6800000000000002 109.605 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -43.1 95.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 2.2200000000000002 109.109 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.67 -40.01 90.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.429 -0.795 . . . . 2.77 109.144 179.386 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CD2' ' NH1' ' A' ' 17' ' ' ARG . 49.3 t80 -59.61 -49.09 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.298 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.49 -40.03 85.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.168 -0.957 . . . . 1.6599999999999999 108.734 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -63.49 -50.04 71.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.54 -0.725 . . . . 0.44 109.509 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.55 -40.01 95.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.28999999999999998 109.243 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -59.25 -43.38 92.42 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.334 -0.854 . . . . 2.4399999999999999 108.84 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.18 -46.58 89.21 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.273 -0.892 . . . . 1.74 108.808 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.85 -43.31 99.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.401 -0.812 . . . . 0.29999999999999999 109.345 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.96 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.22 108.955 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -40.11 94.44 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.487 -0.758 . . . . 1.72 109.499 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.31 -49.58 77.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.221 -0.924 . . . . 0.27000000000000002 109.582 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -44.04 97.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.004 -1.06 . . . . 0.28999999999999998 109.192 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -0.896 . . . . 1.9099999999999999 109.62 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.04 -48.67 80.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.267 -0.896 . . . . 0.40999999999999998 109.097 179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.379 -0.826 . . . . 1.5600000000000001 109.439 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 1.4299999999999999 109.953 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.04 93.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.059 -1.025 . . . . 0.66000000000000003 109.358 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -81.68 -10.08 59.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 1.1799999999999999 109.821 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.6 -8.53 55.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.222 -0.924 . . . . 1.23 109.993 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.08 -2.77 87.65 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.9 -1.28 . . . . 1.54 109.9 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -86.53 139.37 30.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.142 -1.21 . . . . 4.1799999999999997 109.724 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.36 150.81 31.21 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.174 -0.954 . . . . 5.71 109.195 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.11 154.7 21.59 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.255 1.304 . . . . 5.6100000000000003 110.013 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.489 -1.444 . . . . 7.2400000000000002 109.489 179.974 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.26 -0.644 . . . . 7.3399999999999999 109.26 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 50.01 -139.97 0.83 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 7.1699999999999999 109.052 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' B' ' 5' ' ' LEU . 63.4 tttm 52.14 68.29 3.29 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.055 -1.028 . . . . 6.4400000000000004 109.582 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.55 13.48 0.14 Allowed 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 121.753 1.635 . . . . 4.54 110.365 -179.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' B' ' 3' ' ' LYS . 3.4 mm? -80.65 24.44 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.003 -1.061 . . . . 4.3200000000000003 109.236 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -76.64 159.86 29.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.251 -0.905 . . . . 2.4700000000000002 109.401 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.36 148.64 51.12 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.499 -1.441 . . . . 0.94999999999999996 109.499 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.4 140.04 57.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -1.173 . . . . 1.6100000000000001 109.751 -179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -98.14 147.09 24.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.477 -0.764 . . . . 0.56999999999999995 109.53 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -135.82 141.27 44.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.342 -0.849 . . . . 0.53000000000000003 109.736 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -90.85 152.13 20.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.38 109.022 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -145.21 132.53 20.61 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.35999999999999999 109.327 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -83.95 127.92 34.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.337 -0.852 . . . . 1.3600000000000001 109.08 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.02 120.55 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.526 -0.734 . . . . 0.48999999999999999 109.735 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.33 144.15 44.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -0.786 . . . . 2.1000000000000001 110.409 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 123.95 0.84 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 120.437 -0.887 . . . . 0.44 110.924 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.605 ' NH1' ' CD2' ' B' ' 20' ' ' PHE . 27.0 tpt180 -64.99 -40.4 94.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -1.046 . . . . 2.7200000000000002 109.352 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.54 -43.33 97.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.148 -0.97 . . . . 2.21 108.947 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.41 -39.98 89.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.409 -0.807 . . . . 2.79 109.009 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.605 ' CD2' ' NH1' ' B' ' 17' ' ' ARG . 49.9 t80 -59.22 -49.14 79.0 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -0.804 . . . . 0.45000000000000001 109.32 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.89 -40.21 87.96 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 1.6799999999999999 108.81 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 62.6 ttp -62.91 -50.13 72.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.356 -0.84 . . . . 0.42999999999999999 109.454 179.498 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.78 -40.34 96.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.28000000000000003 109.229 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -59.02 -43.69 91.6 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 2.52 108.743 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -46.37 89.75 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.316 -0.865 . . . . 1.75 108.992 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -43.06 99.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.31 109.26 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.265 -0.897 . . . . 1.21 109.161 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -39.94 93.4 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.593 -0.692 . . . . 1.6899999999999999 109.376 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.44 -50.21 74.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.303 -0.873 . . . . 0.27000000000000002 109.686 -179.309 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.05 -43.87 98.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.09 -1.006 . . . . 0.29999999999999999 109.207 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.46 -40.09 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.268 -0.895 . . . . 1.9299999999999999 109.629 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.08 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.40000000000000002 108.938 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 1.5900000000000001 109.451 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.2 m-20 -59.9 -40.05 87.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 1.4299999999999999 109.677 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.06 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.056 -1.028 . . . . 0.65000000000000002 109.641 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -81.3 -10.12 59.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 1.1899999999999999 109.784 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 -9.53 58.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.242 -0.911 . . . . 1.22 110.235 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.25 -1.38 85.71 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.828 -1.309 . . . . 1.53 109.828 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -87.2 139.85 30.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -1.192 . . . . 4.21 109.431 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.05 150.8 37.99 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 5.6799999999999997 109.318 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.98 154.9 20.15 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.175 1.25 . . . . 5.5700000000000003 109.977 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.345 -1.502 . . . . 7.2000000000000002 109.345 -179.852 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.139 -0.689 . . . . 8.9600000000000009 109.139 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 49.89 -139.89 0.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 8.1500000000000004 109.048 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 3' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' C' ' 5' ' ' LEU . 62.8 tttm 52.34 68.22 3.31 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.92 -1.113 . . . . 7.1500000000000004 109.569 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -66.5 13.77 0.13 Allowed 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 121.703 1.602 . . . . 4.3499999999999996 110.276 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' C' ' 3' ' ' LYS . 3.4 mm? -80.64 24.49 0.47 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.112 -0.992 . . . . 4.6299999999999999 109.185 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -76.66 160.08 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 2.8500000000000001 109.353 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.38 148.47 51.3 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.366 -1.493 . . . . 1.1200000000000001 109.366 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 140.03 57.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -1.124 . . . . 2.1099999999999999 109.911 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.27 146.77 25.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.488 -0.758 . . . . 0.64000000000000001 109.695 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.86 140.5 44.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.321 -0.862 . . . . 0.48999999999999999 109.952 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 46.3 p -89.61 151.58 21.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.384 -0.822 . . . . 0.46999999999999997 109.078 179.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.87 131.79 20.24 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.41999999999999998 109.193 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -83.16 128.47 34.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.827 . . . . 1.8100000000000001 109.048 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.63 121.4 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.518 -0.739 . . . . 0.41999999999999998 109.82 -179.296 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -75.2 143.08 43.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.44 -0.787 . . . . 2.3500000000000001 110.652 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 124.89 0.98 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.752 -0.939 . . . . 0.40999999999999998 110.752 178.659 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 17' ' ' ARG . . . . . 0.578 ' NH1' ' CD2' ' C' ' 20' ' ' PHE . 27.0 tpt180 -65.18 -40.65 94.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.306 -1.114 . . . . 2.5899999999999999 109.385 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -43.52 95.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 2.54 109.109 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.44 -39.98 89.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.313 -0.867 . . . . 3.3900000000000001 109.144 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.578 ' CD2' ' NH1' ' C' ' 17' ' ' ARG . 48.1 t80 -59.37 -48.91 79.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.46999999999999997 109.372 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.91 -40.32 88.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.11 -0.994 . . . . 1.6599999999999999 108.77 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 62.6 ttp -63.03 -50.1 72.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.446 -0.784 . . . . 0.60999999999999999 109.447 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.32 -40.55 96.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.458 -0.776 . . . . 0.33000000000000002 109.28 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -58.95 -43.4 91.27 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 3.2799999999999998 108.999 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.06 -46.56 89.16 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.402 -0.811 . . . . 1.78 108.855 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.38 109.404 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.96 -49.93 75.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.286 -0.884 . . . . 1.2 109.054 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.13 -39.93 94.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 2.1200000000000001 109.442 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.22 -50.05 75.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 0.26000000000000001 109.649 -179.406 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.61 -43.67 98.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.086 -1.009 . . . . 0.40000000000000002 109.054 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.288 -0.883 . . . . 2.0899999999999999 109.746 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.08 -48.97 79.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 0.75 109.067 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -59.95 -40.1 87.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.552 -0.717 . . . . 2.1899999999999999 109.319 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.61 -40.0 86.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 1.3400000000000001 109.898 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.19 94.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.71999999999999997 109.619 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -81.31 -10.01 59.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 1.8 109.639 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.28 -9.45 58.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 1.3899999999999999 110.024 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.34 85.09 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.002 -1.239 . . . . 1.6599999999999999 110.002 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -86.62 139.35 30.89 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -1.196 . . . . 4.4500000000000002 109.666 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.57 150.91 32.76 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.208 -0.933 . . . . 6.1900000000000004 109.073 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.14 155.38 19.44 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 C-N-CA 121.093 1.195 . . . . 5.5800000000000001 109.97 179.808 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 118.015 -1.436 . . . . 6.9000000000000004 109.627 179.884 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.4 -0.593 . . . . 7.3600000000000003 109.4 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 50.02 -140.04 0.82 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 7.1500000000000004 109.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 3' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' D' ' 5' ' ' LEU . 62.9 tttm 52.18 68.05 3.49 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 120.938 -1.101 . . . . 6.5 109.558 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -66.37 14.3 0.12 Allowed 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 121.75 1.633 . . . . 4.5 110.228 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 5' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' D' ' 3' ' ' LYS . 3.4 mm? -81.35 24.73 0.53 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 4.3200000000000003 109.207 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -76.81 160.28 29.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.392 -0.817 . . . . 2.46 109.314 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.62 148.62 51.27 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.366 -1.494 . . . . 0.96999999999999997 109.366 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.16 139.89 57.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.311 -1.111 . . . . 1.6699999999999999 109.936 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -98.05 146.96 25.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.557 -0.715 . . . . 0.60999999999999999 109.723 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -135.85 141.29 44.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.397 -0.814 . . . . 0.56000000000000005 109.705 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 46.0 p -91.05 151.85 20.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.368 -0.832 . . . . 0.42999999999999999 108.989 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -144.65 132.5 21.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.235 -0.916 . . . . 0.34999999999999998 109.301 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -83.78 128.0 34.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.169 -0.957 . . . . 1.3700000000000001 108.87 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.12 121.02 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.548 -0.72 . . . . 0.47999999999999998 109.613 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.53 143.53 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.808 . . . . 2.0800000000000001 110.381 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.17 123.78 0.89 Allowed Glycine 0 N--CA 1.494 2.522 0 O-C-N 121.232 -0.918 . . . . 0.40000000000000002 110.852 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 17' ' ' ARG . . . . . 0.569 ' NH1' ' CD2' ' D' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -41.01 96.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.461 -1.023 . . . . 2.6400000000000001 109.367 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -43.2 95.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.125 -0.984 . . . . 2.2200000000000002 109.245 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 19' ' ' ARG . . . . . 0.461 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.0 ttm180 -60.73 -40.03 90.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.36 -0.837 . . . . 2.7400000000000002 109.017 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' NH1' ' D' ' 17' ' ' ARG . 45.9 t80 -59.39 -48.96 79.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.344 -0.847 . . . . 0.42999999999999999 109.235 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.92 -40.28 88.32 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.001 -1.062 . . . . 1.6899999999999999 108.592 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 61.6 ttp -62.81 -50.0 72.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.377 -0.827 . . . . 0.42999999999999999 109.474 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.79 -40.38 97.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.444 -0.785 . . . . 0.27000000000000002 109.305 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -59.23 -43.46 92.36 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 2.4500000000000002 108.86 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -46.16 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 1.75 108.997 179.168 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.43 -43.32 97.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.88 . . . . 0.31 109.342 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.97 -50.01 75.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.301 -0.874 . . . . 1.22 109.002 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.9 94.09 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.37 -0.831 . . . . 1.73 109.452 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.08 -49.99 75.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.311 -0.868 . . . . 0.28000000000000003 109.582 -179.45 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.49 -43.79 98.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.054 -1.029 . . . . 0.31 109.15 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.52 -40.06 90.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.637 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.96 -48.91 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.906 . . . . 0.42999999999999999 109.052 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -59.96 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.397 -0.814 . . . . 1.5700000000000001 109.465 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.87 -40.04 87.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.4399999999999999 109.936 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.01 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.64000000000000001 109.329 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -81.87 -9.95 59.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 1.21 109.827 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.44 -9.78 58.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.985 . . . . 1.22 109.998 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.57 -3.13 82.61 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.94 -1.264 . . . . 1.5 109.94 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -85.83 142.64 28.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.125 -1.221 . . . . 4.1799999999999997 109.596 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 40' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' D' ' 40' ' ' GLU . 6.6 pt-20 -59.96 150.33 69.92 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.835 . . . . 5.6699999999999999 108.966 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.57 154.29 20.58 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.062 1.175 . . . . 5.6500000000000004 109.844 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.388 -1.485 . . . . 7.2699999999999996 109.388 -179.906 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 108.32 -0.993 . . . . 1.76 108.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -89.47 144.18 26.24 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.494 -0.754 . . . . 0.52000000000000002 109.831 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.3 143.13 49.67 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.742 -0.836 . . . . 0.47999999999999998 108.742 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.54 153.49 17.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.905 -1.146 . . . . 0.23000000000000001 107.905 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -145.62 130.47 18.16 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.218 -0.926 . . . . 0.26000000000000001 109.268 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.22 127.4 33.14 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.357 -0.979 . . . . 0.90000000000000002 108.357 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.97 119.99 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.623 -0.88 . . . . 0.26000000000000001 108.623 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.36 148.41 35.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.687 -0.633 . . . . 2.27 109.35 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 115.57 0.34 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.5 -1.04 . . . . 0.35999999999999999 110.5 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.3 -39.91 88.65 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.456 -1.026 . . . . 2.6299999999999999 109.116 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.31 -46.47 86.08 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.575 -0.898 . . . . 2.1699999999999999 108.575 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.1 -39.82 87.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.646 -0.659 . . . . 2.0099999999999998 109.251 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.17 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.212 -0.93 . . . . 0.28000000000000003 109.792 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.35 -41.02 88.23 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.053 -1.029 . . . . 1.1699999999999999 108.317 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.51 -50.09 70.98 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.534 -0.729 . . . . 0.62 109.741 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.82 -39.96 93.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.425 -0.797 . . . . 0.79000000000000004 109.267 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.06 -43.7 91.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.99 -1.069 . . . . 2.2799999999999998 109.584 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.84 88.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.174 -0.954 . . . . 1.4399999999999999 109.092 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.22 -40.23 95.44 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.29999999999999999 108.357 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.58 -56.43 19.97 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.59 0.709 . . . . 0.84999999999999998 109.885 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.5 -39.98 89.7 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.551 -0.718 . . . . 2.1600000000000001 109.388 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.14 81.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.374 -0.829 . . . . 0.20000000000000001 109.371 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 84.7 mt -64.25 -41.99 96.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.28000000000000003 109.572 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.18 -39.78 87.67 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 1.5800000000000001 109.622 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.73 HD11 HE22 ' B' ' 36' ' ' GLN . 21.6 tp -60.78 -47.98 83.85 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.259 -0.9 . . . . 0.69999999999999996 109.107 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.57 -40.57 92.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.267 -0.896 . . . . 1.3400000000000001 108.766 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.83 86.5 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.232 0.539 . . . . 1.24 109.65 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.56 95.87 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.528 -0.915 . . . . 0.59999999999999998 108.528 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.724 HE22 HD11 ' B' ' 32' ' ' LEU . 17.1 mt-30 . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 2.29 108.851 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.484 1.258 0 N-CA-C 108.24 -1.022 . . . . 1.75 108.24 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.52 144.17 26.24 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.505 -0.747 . . . . 0.55000000000000004 109.898 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.25 143.09 49.67 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.748 -0.834 . . . . 0.5 108.748 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.5 153.44 17.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.951 -1.129 . . . . 0.23000000000000001 107.951 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.6 tp -145.6 130.56 18.26 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.177 -0.952 . . . . 0.26000000000000001 109.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.28 127.48 33.25 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.29 -1.004 . . . . 0.91000000000000003 108.29 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.4 mt -120.09 120.01 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.646 -0.872 . . . . 0.25 108.646 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.39 148.39 35.55 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.43 -0.582 . . . . 2.2599999999999998 109.43 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.94 115.57 0.34 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.45 -1.06 . . . . 0.34000000000000002 110.45 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.16 -40.06 88.57 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.52 -0.988 . . . . 2.6299999999999999 109.118 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.23 -46.49 85.83 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.576 -0.898 . . . . 2.1400000000000001 108.576 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.09 -39.82 87.48 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.59 -0.693 . . . . 1.99 109.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.18 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.27000000000000002 109.806 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.18 -41.07 87.61 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.029 -1.044 . . . . 1.1799999999999999 108.411 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.59 -49.98 71.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.561 -0.712 . . . . 0.62 109.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.89 93.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.404 -0.81 . . . . 0.78000000000000003 109.311 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.11 -43.67 91.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.053 -1.03 . . . . 2.2999999999999998 109.597 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.05 -46.87 88.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 1.4399999999999999 109.104 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.25 -40.2 95.4 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.295 -1.002 . . . . 0.28000000000000003 108.295 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.68 -56.34 20.74 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.572 0.701 . . . . 0.83999999999999997 109.91 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.87 89.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.602 -0.686 . . . . 2.1600000000000001 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.12 81.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.354 -0.841 . . . . 0.20000000000000001 109.352 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' B' ' 34' ' ' ASP . 84.7 mt -64.22 -42.03 96.77 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 0.28999999999999998 109.475 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -60.13 -40.19 88.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.204 -0.935 . . . . 1.5700000000000001 109.38 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.724 HD11 HE22 ' A' ' 36' ' ' GLN . 21.6 tp -60.53 -47.98 83.76 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.247 -0.908 . . . . 0.72999999999999998 109.182 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.66 -40.38 91.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.31 -0.869 . . . . 1.3600000000000001 108.741 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 30' ' ' LEU . 1.1 m-20 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.804 -0.56 . . . . 1.25 109.56 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.55 95.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.255 -0.903 . . . . 0.60999999999999999 108.711 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.73 HE22 HD11 ' A' ' 32' ' ' LEU . 17.0 mt-30 . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.2799999999999998 108.825 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 108.316 -0.994 . . . . 1.77 108.316 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.51 144.15 26.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.452 -0.78 . . . . 0.55000000000000004 109.875 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.31 143.12 49.65 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.708 -0.849 . . . . 0.52000000000000002 108.708 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p -94.42 153.5 17.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.928 -1.138 . . . . 0.23999999999999999 107.928 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.7 130.51 18.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.162 -0.961 . . . . 0.27000000000000002 109.217 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.28 127.41 33.18 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.292 -1.003 . . . . 0.92000000000000004 108.292 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -119.98 120.11 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.615 -0.884 . . . . 0.27000000000000002 108.615 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.41 148.35 35.53 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.724 -0.61 . . . . 2.2400000000000002 109.408 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.98 115.57 0.35 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.464 -1.054 . . . . 0.37 110.464 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.37 -39.85 88.69 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.461 -1.023 . . . . 2.6400000000000001 109.073 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.53 86.0 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.587 -0.894 . . . . 2.1600000000000001 108.587 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.573 -0.704 . . . . 2.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.13 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.28000000000000003 109.794 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.34 -40.96 88.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.048 -1.033 . . . . 1.21 108.305 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 47.0 ttp -63.59 -50.0 71.15 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.547 -0.721 . . . . 0.60999999999999999 109.757 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.94 93.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.362 -0.836 . . . . 0.79000000000000004 109.249 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.05 -43.75 91.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.989 -1.07 . . . . 2.27 109.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 1.46 109.052 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.24 -40.2 95.37 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.297 -1.001 . . . . 0.28000000000000003 108.297 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.65 -56.38 20.39 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.645 0.736 . . . . 0.82999999999999996 109.852 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.66 -39.78 89.66 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.53 -0.731 . . . . 2.1699999999999999 109.422 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.15 81.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.35 -0.844 . . . . 0.20999999999999999 109.397 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.432 ' O ' ' OD1' ' C' ' 34' ' ' ASP . 84.5 mt -64.39 -41.82 96.45 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.036 -1.04 . . . . 0.28999999999999998 109.505 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.37 -39.82 88.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.252 -0.905 . . . . 1.5600000000000001 109.451 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.74 HD11 HE22 ' D' ' 36' ' ' GLN . 21.5 tp -60.75 -47.95 84.0 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 0.68999999999999995 109.115 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.62 -40.45 91.93 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.312 -0.867 . . . . 1.3500000000000001 108.779 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' C' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.91 86.76 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.314 0.578 . . . . 1.24 109.66 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.443 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 108.563 -179.834 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 108.361 -0.977 . . . . 1.8 108.361 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -89.55 144.21 26.2 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.528 -0.732 . . . . 0.56999999999999995 109.867 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.29 143.12 49.68 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.751 -0.833 . . . . 0.53000000000000003 108.751 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -94.56 153.46 17.87 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.896 -1.149 . . . . 0.23999999999999999 107.896 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.65 130.56 18.2 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.196 -0.94 . . . . 0.27000000000000002 109.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.29 127.51 33.28 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.255 -1.016 . . . . 0.91000000000000003 108.255 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.04 119.94 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.643 -0.873 . . . . 0.26000000000000001 108.643 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.35 148.33 35.66 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.766 -0.584 . . . . 2.25 109.469 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.04 115.59 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.425 -1.07 . . . . 0.37 110.425 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.32 -39.89 88.67 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.511 -0.994 . . . . 2.6000000000000001 109.117 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.43 86.19 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.599 -0.889 . . . . 2.1400000000000001 108.599 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.05 -39.91 87.63 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.627 -0.671 . . . . 1.99 109.263 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.14 -48.62 80.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.28000000000000003 109.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.37 -41.01 88.29 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.052 -1.03 . . . . 1.1799999999999999 108.321 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.54 -50.08 70.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.629 -0.669 . . . . 0.60999999999999999 109.75 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.81 -40.02 93.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.401 -0.812 . . . . 0.78000000000000003 109.25 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -58.98 -43.69 91.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.037 . . . . 2.27 109.607 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.135 -0.978 . . . . 1.4199999999999999 109.025 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.21 -40.25 95.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.261 -1.014 . . . . 0.29999999999999999 108.261 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.61 -56.38 20.48 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.565 0.698 . . . . 0.83999999999999997 109.902 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.5 -40.02 89.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.611 -0.681 . . . . 2.1699999999999999 109.394 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.13 81.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.336 -0.853 . . . . 0.20000000000000001 109.385 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.433 ' O ' ' OD1' ' D' ' 34' ' ' ASP . 84.8 mt -64.2 -42.11 96.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.011 -1.056 . . . . 0.28999999999999998 109.438 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.005 . . . . 1.5700000000000001 109.546 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.66 -48.02 83.64 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.325 -0.86 . . . . 0.69999999999999996 109.076 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.54 -40.49 91.75 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.249 -0.907 . . . . 1.3500000000000001 108.764 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' D' ' 30' ' ' LEU . 1.1 m-20 -59.81 -40.1 87.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.234 0.54 . . . . 1.26 109.576 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.6 95.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.263 -0.898 . . . . 0.58999999999999997 108.578 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . 0.74 HE22 HD11 ' C' ' 32' ' ' LEU . 17.1 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 2.2799999999999998 108.784 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.362 -0.607 . . . . 1.7 109.362 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.14 147.4 33.76 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.593 -0.692 . . . . 0.60999999999999999 109.421 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -138.1 137.08 37.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.366 -0.834 . . . . 0.57999999999999996 109.701 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.51 155.02 19.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.41999999999999998 109.067 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.1 tp -147.04 130.75 16.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.101 -0.999 . . . . 0.35999999999999999 109.247 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -84.01 127.1 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.747 -0.835 . . . . 1.3700000000000001 108.747 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.56 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.275 -0.891 . . . . 0.46999999999999997 109.264 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -77.72 145.28 36.65 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.47 -0.769 . . . . 2.1000000000000001 110.443 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 117.18 1.05 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.6 -1.0 . . . . 0.41999999999999998 110.6 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 17' ' ' ARG . 40.5 ttt-85 -65.33 -42.22 93.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.188 -1.183 . . . . 2.6800000000000002 109.296 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.65 -40.19 91.11 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.808 -1.182 . . . . 2.2200000000000002 107.946 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.484 HH22 ' CG ' ' C' ' 34' ' ' ASP . 38.0 ttm180 -61.85 -38.02 86.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 2.77 108.771 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.44 -45.24 92.15 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.018 -1.051 . . . . 0.42999999999999999 109.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.56 -40.79 88.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.115 -0.991 . . . . 1.6599999999999999 109.236 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -60.79 -49.66 76.58 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.704 -0.85 . . . . 0.44 108.704 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.71 -39.61 92.1 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.611 -0.885 . . . . 0.28999999999999998 108.611 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.81 -46.96 83.94 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.534 -0.913 . . . . 2.4399999999999999 108.534 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.24 -47.19 87.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.487 -0.758 . . . . 1.74 109.153 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.06 -45.55 94.29 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.191 -0.943 . . . . 0.29999999999999999 109.089 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.31 -49.73 76.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.339 -0.851 . . . . 1.22 109.343 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.2 -40.88 95.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 1.72 109.758 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.84 -50.2 74.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.92 . . . . 0.27000000000000002 110.11 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.37 -43.48 98.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.128 -0.983 . . . . 0.28999999999999998 109.474 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -40.78 90.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.071 -1.018 . . . . 1.9099999999999999 109.383 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.128 -1.064 . . . . 0.40999999999999998 108.128 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.72 -40.48 92.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.514 -0.741 . . . . 1.5600000000000001 109.113 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.35 -40.45 90.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.39 -0.819 . . . . 1.4299999999999999 109.666 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.73 68.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.492 -0.755 . . . . 0.66000000000000003 109.312 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 C--N 1.303 -1.431 0 O-C-N 121.361 -0.837 . . . . 1.1799999999999999 109.211 179.841 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.247 -0.649 . . . . 1.6100000000000001 109.247 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -110.41 146.16 36.35 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.299 -0.63 . . . . 0.56999999999999995 109.299 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.81 137.93 38.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.39 -0.819 . . . . 0.53000000000000003 109.543 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.5 p -89.38 155.13 19.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.38 109.069 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.34 130.52 16.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.039 -1.038 . . . . 0.35999999999999999 109.312 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -83.95 126.56 33.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 108.801 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.16 120.16 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 121.491 -0.756 . . . . 0.48999999999999999 109.451 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -78.2 144.25 36.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 2.1000000000000001 110.466 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.58 115.92 1.14 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.714 -0.955 . . . . 0.44 110.714 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' B' ' 17' ' ' ARG . 39.5 ttt-85 -63.51 -42.91 98.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -1.185 . . . . 2.7200000000000002 109.163 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.04 -40.94 91.15 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.794 -1.191 . . . . 2.21 107.964 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.48 HH22 ' CG ' ' D' ' 34' ' ' ASP . 38.6 ttm180 -60.67 -38.79 86.1 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.87 -0.789 . . . . 2.79 108.87 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -59.11 -45.39 91.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.397 -0.814 . . . . 0.45000000000000001 110.116 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.91 -40.78 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.017 -1.052 . . . . 1.6799999999999999 109.092 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.1 ttp -60.15 -50.07 75.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.837 -0.801 . . . . 0.42999999999999999 108.837 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.91 -39.49 92.19 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.824 -0.806 . . . . 0.28000000000000003 108.824 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -57.69 -46.92 83.69 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.412 -0.959 . . . . 2.52 108.412 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.89 -46.71 88.45 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.069 -0.715 . . . . 1.75 109.069 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.66 -46.31 90.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.188 -0.945 . . . . 0.31 109.178 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.0 -49.65 76.85 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.195 -0.94 . . . . 1.21 109.285 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.01 -40.33 93.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 1.6899999999999999 109.607 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -60.65 -50.9 71.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.269 -0.894 . . . . 0.27000000000000002 109.76 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.82 -43.5 98.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.061 -1.024 . . . . 0.29999999999999999 109.62 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -40.26 88.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 1.9299999999999999 109.533 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.41 -47.14 87.39 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.998 -1.112 . . . . 0.40000000000000002 107.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.23 -40.69 91.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.376 -0.828 . . . . 1.5900000000000001 108.952 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -60.05 -40.84 90.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 1.4299999999999999 109.566 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.94 67.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.548 -0.72 . . . . 0.65000000000000002 109.34 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.1899999999999999 109.306 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.487 1.422 0 N-CA-C 109.412 -0.588 . . . . 2.1099999999999999 109.412 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -110.98 145.75 37.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 0.64000000000000001 109.261 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -136.83 136.91 39.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.405 -0.809 . . . . 0.48999999999999999 109.38 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 69.4 p -88.48 154.85 20.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.839 . . . . 0.46999999999999997 108.947 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -147.04 131.15 17.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.267 -0.895 . . . . 0.41999999999999998 109.185 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.46 127.25 33.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.286 -0.884 . . . . 1.8100000000000001 109.06 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.19 120.07 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.34 -0.85 . . . . 0.41999999999999998 109.583 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.59 144.2 35.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.829 . . . . 2.3500000000000001 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.57 116.27 1.16 Allowed Glycine 0 N--CA 1.501 2.97 0 N-CA-C 110.647 -0.981 . . . . 0.40999999999999998 110.647 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' C' ' 17' ' ' ARG . 41.1 ttt-85 -63.65 -42.98 98.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -1.135 . . . . 2.5899999999999999 109.258 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.14 -41.48 92.79 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.707 -1.22 . . . . 2.54 107.707 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -60.01 -38.43 82.61 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.772 -0.825 . . . . 3.3900000000000001 108.772 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.74 -45.36 92.44 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.327 -0.858 . . . . 0.46999999999999997 110.41 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.55 89.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.051 -1.031 . . . . 1.6599999999999999 109.145 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.68 -49.98 75.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.737 -0.838 . . . . 0.60999999999999999 108.737 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.36 -39.91 92.34 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.86 -0.793 . . . . 0.33000000000000002 108.86 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.27 -47.71 80.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.519 -0.919 . . . . 3.2799999999999998 108.519 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -47.36 86.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 1.78 109.264 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.68 -46.54 89.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 0.38 109.143 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.509 -0.744 . . . . 1.2 109.279 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.42 -41.36 93.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.912 . . . . 2.1200000000000001 109.718 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.29 -50.15 74.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.33 -0.857 . . . . 0.26000000000000001 109.955 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.15 -43.36 99.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.012 . . . . 0.40000000000000002 109.34 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -40.96 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.036 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.87 -46.75 88.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.942 -1.099 . . . . 0.75 108.376 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.45 -40.57 91.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.444 -0.785 . . . . 2.1899999999999999 109.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.484 ' CG ' HH22 ' A' ' 19' ' ' ARG . 81.7 m-20 -59.99 -41.21 91.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 1.3400000000000001 109.246 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.446 0 O-C-N 121.417 -0.802 . . . . 0.71999999999999997 109.496 -179.759 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.226 0.536 . . . . 1.6699999999999999 109.577 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.47 146.73 35.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.578 -0.701 . . . . 0.60999999999999999 109.261 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.07 136.71 37.07 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.43 -0.794 . . . . 0.56000000000000005 109.878 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 68.4 p -88.5 154.9 19.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.42999999999999999 109.003 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -146.54 130.17 16.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.094 -1.004 . . . . 0.34999999999999998 109.078 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -83.69 126.5 32.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 108.808 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.2 mt -120.06 120.14 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.419 -0.801 . . . . 0.47999999999999998 109.518 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.49 143.91 36.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.445 -0.784 . . . . 2.0800000000000001 110.449 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 115.84 1.32 Allowed Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.661 -0.976 . . . . 0.40000000000000002 110.661 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' D' ' 17' ' ' ARG . 40.9 ttt-85 -64.08 -43.11 96.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.175 -1.191 . . . . 2.6400000000000001 109.255 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.08 -40.17 88.63 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.558 -1.339 . . . . 2.2200000000000002 107.937 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.86 -38.4 88.13 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.414 -0.958 . . . . 2.7400000000000002 108.414 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.18 -45.39 91.15 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.298 -0.876 . . . . 0.42999999999999999 110.03 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.8 -41.13 90.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.951 -1.093 . . . . 1.6899999999999999 109.193 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.3 ttp -60.04 -49.65 76.8 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.812 -0.81 . . . . 0.42999999999999999 108.812 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.92 -39.59 92.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.27000000000000002 108.856 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.75 -47.07 83.52 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.3 -1.0 . . . . 2.4500000000000002 108.3 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.477 -0.765 . . . . 1.75 109.186 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.47 -45.89 92.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.326 -0.859 . . . . 0.31 108.952 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -60.24 -49.59 77.03 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.518 -0.739 . . . . 1.22 109.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.22 -40.81 95.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 1.73 109.784 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.33 -51.06 71.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.28000000000000003 109.589 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.03 -43.09 99.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.087 -1.008 . . . . 0.31 109.714 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.17 -40.27 89.37 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.922 -1.112 . . . . 1.9099999999999999 109.421 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.32 -47.21 86.99 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.009 -1.108 . . . . 0.42999999999999999 108.009 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.04 -40.64 90.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.42 -0.8 . . . . 1.5700000000000001 109.109 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.48 ' CG ' HH22 ' B' ' 19' ' ' ARG . 84.3 m-20 -60.01 -40.32 88.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.209 -0.932 . . . . 1.4399999999999999 109.795 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -26.45 66.58 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.283 -0.885 . . . . 0.64000000000000001 109.415 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.135 -0.691 . . . . 1.21 109.135 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.206 0.527 . . . . 1.7 109.711 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -97.09 147.06 24.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.331 -0.855 . . . . 0.60999999999999999 109.536 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.71 138.91 43.22 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.35 -0.844 . . . . 0.57999999999999996 109.419 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -89.5 154.34 20.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.41999999999999998 108.985 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.83 133.81 21.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.158 -0.964 . . . . 0.35999999999999999 109.423 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.444 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.8 tt0 -84.88 127.76 34.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.3700000000000001 108.876 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 120.07 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.419 -0.8 . . . . 0.46999999999999997 109.514 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.64 36.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 2.1000000000000001 110.082 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.38 123.25 0.62 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.487 -1.045 . . . . 0.41999999999999998 110.487 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -65.63 -41.58 92.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.397 -1.061 . . . . 2.6800000000000002 109.241 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.52 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.355 -0.84 . . . . 2.2200000000000002 109.279 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.4 ttm180 -60.76 -40.55 92.92 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.234 -0.916 . . . . 2.77 108.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.92 -47.98 83.56 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.42999999999999999 109.046 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -40.7 89.68 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.976 -1.12 . . . . 1.6599999999999999 107.976 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 30.8 ttp -63.2 -50.13 71.51 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.501 -0.749 . . . . 0.44 109.176 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.57 -39.98 93.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.655 -0.868 . . . . 0.28999999999999998 108.655 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -56.21 -47.73 77.82 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.316 -0.994 . . . . 2.4399999999999999 108.316 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.18 -46.74 88.66 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.391 -0.818 . . . . 1.74 108.913 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.6 92.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.162 -0.961 . . . . 0.29999999999999999 109.207 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -60.06 -50.03 75.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.54 -40.03 93.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 1.72 109.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.96 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.213 -0.929 . . . . 0.27000000000000002 109.621 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.01 -44.65 96.27 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 109.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.98 94.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.318 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.32 -49.94 75.58 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.239 -0.913 . . . . 0.40999999999999998 109.059 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.31 -41.05 92.64 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.515 -0.741 . . . . 1.5600000000000001 109.559 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.545 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 97.5 m-20 -60.05 -40.2 88.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 1.4299999999999999 109.596 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.12 97.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.322 -0.861 . . . . 0.66000000000000003 109.656 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.493 1.675 0 O-C-N 121.09 -1.006 . . . . 1.1799999999999999 109.495 179.742 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.329 0.585 . . . . 1.6100000000000001 109.563 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . 0.452 ' CB ' HE21 ' D' ' 13' ' ' GLN . 89.9 m-85 -96.7 147.79 23.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.313 -0.867 . . . . 0.56999999999999995 109.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.54 139.45 42.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.315 -0.866 . . . . 0.53000000000000003 109.47 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -89.78 154.42 19.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.219 -0.925 . . . . 0.38 108.915 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 tp -146.24 134.01 21.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 0.35999999999999999 109.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.475 HE21 ' CB ' ' D' ' 9' ' ' TYR . 61.6 tt0 -85.24 127.83 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.812 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.98 119.98 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.365 -0.834 . . . . 0.48999999999999999 109.47 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.65 36.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.1000000000000001 109.969 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.49 123.68 0.65 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.367 -1.093 . . . . 0.44 110.367 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -66.37 -41.43 89.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.325 -1.103 . . . . 2.7200000000000002 109.162 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.14 93.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.335 -0.853 . . . . 2.21 109.183 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.7 ttm180 -61.34 -40.22 93.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 2.79 108.844 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.92 -48.21 82.63 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.354 -0.841 . . . . 0.45000000000000001 109.019 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.7 89.2 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.279 -1.008 . . . . 1.6799999999999999 108.279 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 32.7 ttp -63.42 -49.91 71.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.385 -0.822 . . . . 0.42999999999999999 109.03 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.55 -39.97 93.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.28000000000000003 108.815 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -56.52 -47.75 78.7 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.392 -0.966 . . . . 2.52 108.392 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -46.57 89.09 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.397 -0.815 . . . . 1.75 108.933 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.02 -45.51 93.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 0.31 109.159 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.1 -49.98 75.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 1.21 109.567 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.88 -39.9 93.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.95 -50.07 75.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.27000000000000002 109.623 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.59 -45.25 94.93 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 0.29999999999999999 109.201 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.58 92.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9299999999999999 109.557 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.873 . . . . 0.40000000000000002 109.095 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.14 -41.32 92.45 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.414 -0.804 . . . . 1.5900000000000001 109.452 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.8 m-20 -60.12 -39.92 87.93 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.127 -0.983 . . . . 1.4299999999999999 109.45 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.73 96.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.65000000000000002 109.633 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 1.1899999999999999 109.604 179.727 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 121.291 0.567 . . . . 2.1099999999999999 109.721 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . 0.444 ' CB ' HE21 ' A' ' 13' ' ' GLN . 89.7 m-85 -96.84 147.46 23.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.231 -0.918 . . . . 0.64000000000000001 109.582 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.14 139.43 42.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.368 -0.833 . . . . 0.48999999999999999 109.466 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 153.93 20.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.195 -0.941 . . . . 0.46999999999999997 108.977 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.73 133.8 21.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.14 -0.975 . . . . 0.41999999999999998 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.85 127.9 34.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.391 -0.818 . . . . 1.8100000000000001 108.793 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 120.13 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 121.437 -0.79 . . . . 0.41999999999999998 109.399 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.37 150.02 36.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 2.3500000000000001 109.932 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 123.26 0.55 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.578 -1.009 . . . . 0.40999999999999998 110.578 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.71 -41.8 91.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -1.065 . . . . 2.5899999999999999 109.38 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -42.49 94.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 2.54 109.119 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.545 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 43.7 ttm180 -61.08 -40.38 93.46 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.238 -0.914 . . . . 3.3900000000000001 108.724 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.11 -48.0 83.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.365 -0.834 . . . . 0.46999999999999997 108.837 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.95 -40.62 89.61 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.239 -1.023 . . . . 1.6599999999999999 108.239 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.2 ttp -63.3 -50.08 71.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 0.60999999999999999 109.079 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.44 -39.95 92.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.92 -0.77 . . . . 0.33000000000000002 108.92 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.57 -47.66 79.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.425 -0.954 . . . . 3.2799999999999998 108.425 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.11 -46.95 87.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.376 -0.828 . . . . 1.78 108.793 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.71 -45.6 93.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 0.38 109.166 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.03 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 1.2 109.545 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.69 -39.99 93.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.403 -0.81 . . . . 2.1200000000000001 109.974 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.373 -0.829 . . . . 0.26000000000000001 109.606 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.85 -44.89 95.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.025 -1.047 . . . . 0.40000000000000002 109.225 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.19 -41.2 92.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.465 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.24 -49.89 75.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.75 109.173 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.5 -41.13 93.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 2.1899999999999999 109.494 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.1 m-20 -60.05 -39.89 87.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.389 -0.819 . . . . 1.3400000000000001 109.522 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.433 0 O-C-N 121.265 -0.897 . . . . 0.71999999999999997 109.648 -179.71 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.37 0.605 . . . . 1.6699999999999999 109.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . 0.475 ' CB ' HE21 ' B' ' 13' ' ' GLN . 90.5 m-85 -96.98 147.55 23.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.212 -0.93 . . . . 0.60999999999999999 109.487 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.12 139.61 43.08 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.275 -0.89 . . . . 0.56000000000000005 109.477 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 63.4 p -89.61 154.81 19.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.188 -0.945 . . . . 0.42999999999999999 108.914 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -146.54 132.86 19.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.068 -1.02 . . . . 0.34999999999999998 109.516 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . 0.452 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.7 tt0 -84.25 127.76 34.15 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.724 -0.843 . . . . 1.3700000000000001 108.724 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.11 119.94 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.363 -0.836 . . . . 0.47999999999999998 109.485 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.44 149.58 36.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.354 -0.841 . . . . 2.0800000000000001 110.069 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.45 124.01 0.66 Allowed Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.301 -1.12 . . . . 0.40000000000000002 110.301 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.66 -40.93 88.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.261 -1.141 . . . . 2.6400000000000001 109.121 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.79 95.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 2.2200000000000002 109.14 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.4 ttm180 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.281 -0.887 . . . . 2.7400000000000002 108.892 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.07 -47.91 83.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.008 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.94 -40.4 88.84 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.199 -1.037 . . . . 1.6899999999999999 108.199 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 32.1 ttp -63.64 -50.0 71.04 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.22 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.39 -39.9 92.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.821 -0.807 . . . . 0.27000000000000002 108.821 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -56.41 -47.58 78.73 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.307 -0.997 . . . . 2.4500000000000002 108.307 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.22 -46.43 89.78 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.491 -0.756 . . . . 1.75 108.963 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.23 -45.87 91.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.254 -0.904 . . . . 0.31 109.107 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.98 -49.91 75.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.386 -0.821 . . . . 1.22 109.536 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 1.73 109.909 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.97 -50.05 75.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.129 -0.982 . . . . 0.28000000000000003 109.57 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.58 -45.4 94.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.138 -0.976 . . . . 0.31 109.267 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.36 92.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.372 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.08 -49.84 76.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 109.024 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.25 -41.16 92.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.43 -0.794 . . . . 1.5700000000000001 109.4 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.01 -40.09 88.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.353 -0.842 . . . . 1.4399999999999999 109.595 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.267 -0.895 . . . . 0.64000000000000001 109.617 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.123 -0.985 . . . . 1.21 109.466 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.138 -0.69 . . . . 1.7 109.138 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -109.27 142.65 39.83 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.598 -0.689 . . . . 0.60999999999999999 109.278 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -133.99 140.46 46.73 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.271 -0.893 . . . . 0.57999999999999996 109.698 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.28 155.56 19.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.243 -0.911 . . . . 0.41999999999999998 109.195 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.92 130.04 16.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.056 -1.027 . . . . 0.35999999999999999 109.352 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 128.32 34.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 1.3700000000000001 108.978 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.0 119.97 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.307 -0.871 . . . . 0.46999999999999997 109.648 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -76.98 145.0 38.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.327 -0.858 . . . . 2.1000000000000001 109.912 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.76 112.72 1.86 Allowed Glycine 0 N--CA 1.499 2.833 0 N-CA-C 110.409 -1.076 . . . . 0.41999999999999998 110.409 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -60.07 -49.37 77.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -1.085 . . . . 2.6800000000000002 109.284 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.2200000000000002 108.698 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.614 ' NH1' HD22 ' C' ' 30' ' ' LEU . 10.2 tpp180 -60.15 -38.69 83.89 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.756 . . . . 2.77 109.467 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.04 -42.84 86.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.858 . . . . 0.42999999999999999 109.513 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.59 86.22 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.165 -0.96 . . . . 1.6599999999999999 108.594 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.6 ttp -59.95 -50.85 72.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.464 -0.773 . . . . 0.44 109.69 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -62.99 -40.09 96.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 0.28999999999999998 109.29 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -52.97 -48.78 67.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 2.4399999999999999 109.273 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.431 ' CD ' HH12 ' D' ' 19' ' ' ARG . 84.4 tt0 -60.01 -47.26 86.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.11 -0.994 . . . . 1.74 109.359 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -46.2 89.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.139 -0.975 . . . . 0.29999999999999999 108.916 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.85 -50.16 74.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 1.22 109.618 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.397 -0.815 . . . . 1.72 109.774 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.0 -47.72 82.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.127 -0.983 . . . . 0.27000000000000002 109.317 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' NH1' ' C' ' 19' ' ' ARG . 86.3 mt -61.26 -41.86 97.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.068 -1.02 . . . . 0.28999999999999998 109.288 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.38 -41.01 92.87 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.179 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.18 -49.98 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.40999999999999998 109.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.27 -40.2 95.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 1.5600000000000001 109.443 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.12 -39.93 87.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.406 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.15 95.68 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.372 -0.83 . . . . 0.66000000000000003 109.282 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.199 -0.938 . . . . 1.1799999999999999 109.341 179.753 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 109.309 -0.626 . . . . 1.6100000000000001 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.69 142.92 40.18 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 109.206 -0.664 . . . . 0.56999999999999995 109.206 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -134.17 140.84 46.8 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.303 -0.873 . . . . 0.53000000000000003 109.686 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -88.74 154.77 20.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.858 . . . . 0.38 109.268 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -146.27 129.98 17.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.062 -1.024 . . . . 0.35999999999999999 109.346 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -85.85 128.21 34.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 1.3600000000000001 109.014 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.4 mt -120.08 120.06 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.389 -0.82 . . . . 0.48999999999999999 109.531 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -76.92 145.08 38.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.923 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.68 112.66 1.83 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.425 -1.07 . . . . 0.44 110.425 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.98 -49.49 77.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.376 -1.073 . . . . 2.7200000000000002 109.436 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.643 -0.873 . . . . 2.21 108.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.642 ' NH1' HD22 ' D' ' 30' ' ' LEU . 9.9 tpp180 -60.02 -39.64 86.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.659 -0.651 . . . . 2.79 109.337 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.32 -42.91 82.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.45000000000000001 109.466 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.92 -39.31 85.02 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.659 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 39.5 ttp -59.94 -50.8 72.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 0.42999999999999999 109.762 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -63.05 -40.05 96.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.28000000000000003 109.334 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -53.19 -48.66 67.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 2.52 109.364 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.521 ' CD ' HH12 ' C' ' 19' ' ' ARG . 83.7 tt0 -60.08 -47.52 85.53 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.13 -0.981 . . . . 1.75 109.194 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -46.31 89.82 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.145 -0.972 . . . . 0.31 108.978 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -60.05 -49.83 76.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.433 -0.792 . . . . 1.21 109.551 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -39.76 87.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.351 -0.843 . . . . 1.6899999999999999 109.914 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.561 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.49 -47.14 85.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.27000000000000002 109.352 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.606 HD22 ' NH1' ' D' ' 19' ' ' ARG . 88.6 mt -61.61 -41.75 97.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.29999999999999999 109.238 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.25 -41.3 92.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.436 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.27 -49.88 75.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.40000000000000002 109.485 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.33 -40.12 95.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 1.5900000000000001 109.353 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.99 87.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.261 -0.9 . . . . 1.4299999999999999 109.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.01 94.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 0.65000000000000002 109.349 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.967 . . . . 1.1899999999999999 109.473 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.255 -0.646 . . . . 2.1099999999999999 109.255 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.43 142.32 40.58 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.563 -0.71 . . . . 0.64000000000000001 109.288 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -133.58 140.69 47.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.304 -0.873 . . . . 0.48999999999999999 109.584 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -88.38 155.7 19.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.406 -0.809 . . . . 0.46999999999999997 109.163 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.77 130.69 17.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.073 -1.017 . . . . 0.41999999999999998 109.446 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -86.49 127.72 34.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 1.8100000000000001 109.132 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 120.0 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.323 -0.861 . . . . 0.41999999999999998 109.539 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -77.05 144.73 38.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.484 -0.76 . . . . 2.3500000000000001 109.792 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.61 112.31 2.01 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.351 -1.1 . . . . 0.40999999999999998 110.351 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -59.98 -49.64 76.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -1.081 . . . . 2.5899999999999999 109.283 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -59.97 -39.92 87.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.235 -0.916 . . . . 2.54 108.767 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.635 ' NH1' HD22 ' A' ' 30' ' ' LEU . 10.2 tpp180 -60.08 -39.16 85.1 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.605 -0.684 . . . . 3.3900000000000001 109.433 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.39 -42.64 82.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.228 -0.92 . . . . 0.46999999999999997 109.672 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.761 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 39.4 ttp -59.98 -50.69 72.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.63 -0.669 . . . . 0.60999999999999999 109.838 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -63.47 -39.94 95.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.898 . . . . 0.33000000000000002 109.374 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -53.23 -48.72 67.96 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 3.2799999999999998 109.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' B' ' 19' ' ' ARG . 83.4 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.092 -1.005 . . . . 1.78 109.322 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -45.97 90.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.1 -1.0 . . . . 0.38 108.992 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.06 -49.94 75.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.2 109.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -39.36 85.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.955 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.605 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.76 -46.93 86.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.044 -1.035 . . . . 0.26000000000000001 109.408 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.614 HD22 ' NH1' ' A' ' 19' ' ' ARG . 87.6 mt -61.87 -41.74 98.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 0.40000000000000002 109.089 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.16 -41.77 93.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.386 -0.821 . . . . 2.0899999999999999 109.484 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.57 HD11 HE22 ' D' ' 36' ' ' GLN . 61.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.284 -0.885 . . . . 0.75 109.434 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.9 -40.35 96.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.325 -0.859 . . . . 2.1899999999999999 109.563 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.05 -39.93 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.361 -0.837 . . . . 1.3400000000000001 109.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 O-C-N 121.323 -0.86 . . . . 0.71999999999999997 109.368 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.281 -0.637 . . . . 1.6699999999999999 109.281 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.36 142.88 39.67 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.524 -0.735 . . . . 0.60999999999999999 109.161 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.22 140.23 46.34 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.332 -0.855 . . . . 0.56000000000000005 109.584 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -88.1 155.53 19.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.335 -0.853 . . . . 0.42999999999999999 109.156 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -147.01 130.01 16.33 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.003 -1.061 . . . . 0.34999999999999998 109.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -86.04 128.24 34.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.3700000000000001 109.081 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.98 120.0 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.435 -0.79 . . . . 0.47999999999999998 109.622 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -77.05 145.2 38.08 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.817 . . . . 2.0800000000000001 109.958 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 112.66 1.89 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.582 -1.007 . . . . 0.40000000000000002 110.582 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -60.09 -49.42 77.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.249 -1.148 . . . . 2.6400000000000001 109.387 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.01 -39.86 87.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 2.2200000000000002 108.705 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.606 ' NH1' HD22 ' B' ' 30' ' ' LEU . 10.4 tpp180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.466 -0.771 . . . . 2.7400000000000002 109.47 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.81 -42.91 80.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.933 . . . . 0.42999999999999999 109.61 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.55 85.94 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 108.749 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 39.7 ttp -60.0 -50.51 73.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.42999999999999999 109.819 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.35 -40.0 96.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.27000000000000002 109.311 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -53.15 -48.67 67.76 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 2.4500000000000002 109.297 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' A' ' 19' ' ' ARG . 83.6 tt0 -60.06 -47.3 86.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.096 -1.002 . . . . 1.75 109.287 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.37 -46.2 89.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.178 -0.951 . . . . 0.31 109.104 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.445 -0.785 . . . . 1.22 109.69 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.461 -0.775 . . . . 1.73 109.749 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.605 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.03 -47.21 83.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 0.28000000000000003 109.423 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.642 HD22 ' NH1' ' B' ' 19' ' ' ARG . 87.8 mt -61.58 -42.24 98.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.31 109.131 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -41.43 92.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.322 -0.861 . . . . 1.9099999999999999 109.213 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.01 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.376 -0.827 . . . . 0.42999999999999999 109.476 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.42 -40.01 94.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 1.5700000000000001 109.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.417 -0.802 . . . . 1.4399999999999999 109.351 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.11 95.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.342 -0.849 . . . . 0.64000000000000001 109.397 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . 0.57 HE22 HD11 ' C' ' 32' ' ' LEU . 89.5 mt-30 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 1.21 109.355 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.208 0.528 . . . . 1.7 109.639 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.434 ' CB ' HE21 ' C' ' 13' ' ' GLN . 96.5 m-85 -102.56 148.34 25.66 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.456 -0.778 . . . . 0.60999999999999999 109.124 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.63 134.26 44.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.376 -0.827 . . . . 0.57999999999999996 109.698 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -87.97 156.89 19.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.41999999999999998 108.967 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -146.43 129.22 16.24 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 0.35999999999999999 108.962 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -85.04 127.09 34.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.244 -0.91 . . . . 1.3700000000000001 108.802 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.06 120.08 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.516 -0.74 . . . . 0.46999999999999997 110.05 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.5 148.97 38.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.508 -0.745 . . . . 2.1000000000000001 109.949 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 125.29 0.73 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.379 -1.089 . . . . 0.41999999999999998 110.379 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.06 -40.71 78.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -1.129 . . . . 2.6800000000000002 109.409 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -44.03 95.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 2.2200000000000002 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.34 -39.98 89.06 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 2.77 109.065 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -47.4 84.71 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.428 -0.795 . . . . 0.42999999999999999 109.198 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.82 -39.96 86.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.091 -1.005 . . . . 1.6599999999999999 108.536 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 54.9 ttp -62.62 -50.81 69.78 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.402 -0.811 . . . . 0.44 109.704 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.67 -40.96 98.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.202 -0.936 . . . . 0.28999999999999998 109.038 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.74 -41.07 90.12 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.626 -0.879 . . . . 2.4399999999999999 108.626 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.9 75.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.426 -0.796 . . . . 1.74 109.011 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.52 -42.51 99.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.255 -0.903 . . . . 0.29999999999999999 108.893 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.04 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 1.22 109.449 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.93 -39.96 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.286 -0.884 . . . . 1.72 109.774 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.69 -44.77 93.53 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.241 -0.912 . . . . 0.27000000000000002 109.007 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.08 -40.82 98.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.145 -0.972 . . . . 0.28999999999999998 109.033 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -47.44 85.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 1.9099999999999999 108.982 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.05 -49.7 76.64 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.476 -0.935 . . . . 0.40999999999999998 108.476 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -60.09 -41.79 93.25 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.096 -0.705 . . . . 1.5600000000000001 109.096 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.19 -40.04 88.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.746 . . . . 1.4299999999999999 110.314 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.96 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.127 -0.983 . . . . 0.66000000000000003 109.94 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 C--N 1.302 -1.483 0 O-C-N 121.168 -0.957 . . . . 1.1799999999999999 109.102 179.841 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.564 -0.532 . . . . 1.6100000000000001 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.23 148.59 25.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.56999999999999995 109.079 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.8 134.56 44.84 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.325 -0.86 . . . . 0.53000000000000003 109.689 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.1 157.6 18.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.38 108.872 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -146.65 130.04 16.74 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.994 . . . . 0.35999999999999999 108.821 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.434 HE21 ' CB ' ' D' ' 9' ' ' TYR . 59.2 tt0 -85.95 126.88 34.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 108.879 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.01 120.04 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.373 -0.829 . . . . 0.48999999999999999 110.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.53 148.73 38.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.527 -0.733 . . . . 2.1000000000000001 109.987 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 125.3 0.76 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.175 -1.17 . . . . 0.44 110.175 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.29 -40.65 77.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -1.105 . . . . 2.7200000000000002 109.409 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.23 -44.24 95.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 2.21 109.245 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -60.17 -39.98 88.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.41 -0.806 . . . . 2.79 109.075 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.45000000000000001 109.243 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.97 -40.17 88.15 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.982 -1.074 . . . . 1.6799999999999999 108.628 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 57.3 ttp -62.58 -50.07 72.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.354 -0.842 . . . . 0.42999999999999999 109.861 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.4 -40.99 98.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.28000000000000003 108.908 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -59.85 -40.98 90.42 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.606 -0.886 . . . . 2.52 108.606 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -49.58 77.1 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.406 -0.808 . . . . 1.75 108.964 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.86 -42.49 99.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.982 . . . . 0.31 108.849 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.96 -50.05 75.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.35 -0.844 . . . . 1.21 109.57 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.71 -40.01 93.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.679 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.92 -44.79 94.09 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.261 -0.899 . . . . 0.27000000000000002 109.121 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.1 -40.71 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.29999999999999999 108.937 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -47.13 87.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 1.9299999999999999 108.873 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.04 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.435 -0.95 . . . . 0.40000000000000002 108.435 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -60.08 -41.5 92.58 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.07 -0.715 . . . . 1.5900000000000001 109.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.12 -39.9 87.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 110.261 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.99 94.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.65000000000000002 109.863 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.107 -0.996 . . . . 1.1899999999999999 109.209 179.843 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.257 0.551 . . . . 2.1099999999999999 109.875 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.01 148.24 25.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.495 -0.753 . . . . 0.64000000000000001 109.324 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.43 134.23 44.84 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.454 -0.779 . . . . 0.48999999999999999 109.671 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.02 157.34 18.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.792 . . . . 0.46999999999999997 108.942 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -146.59 129.42 16.25 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.017 . . . . 0.41999999999999998 109.002 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . 0.434 HE21 ' CB ' ' A' ' 9' ' ' TYR . 59.3 tt0 -85.15 126.82 33.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -0.823 . . . . 1.8100000000000001 108.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.08 120.4 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 110.112 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.55 149.6 38.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.487 -0.758 . . . . 2.3500000000000001 109.962 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.61 124.14 0.57 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.495 -1.042 . . . . 0.40999999999999998 110.495 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.76 -41.27 83.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -1.077 . . . . 2.5899999999999999 109.504 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.2 -43.7 95.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.091 -1.006 . . . . 2.54 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.5 -39.89 89.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.294 -0.879 . . . . 3.3900000000000001 109.081 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.05 -47.07 86.56 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.368 -0.832 . . . . 0.46999999999999997 109.28 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.91 -39.95 87.15 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.043 -1.035 . . . . 1.6599999999999999 108.508 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 57.2 ttp -62.84 -50.23 71.78 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.393 -0.817 . . . . 0.60999999999999999 109.797 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.05 -41.13 99.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.33000000000000002 108.924 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.67 -40.93 89.39 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.681 -0.859 . . . . 3.2799999999999998 108.681 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.85 76.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.404 -0.81 . . . . 1.78 108.936 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.67 -42.28 99.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.152 -0.967 . . . . 0.38 108.966 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.08 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.421 -0.799 . . . . 1.2 109.652 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.01 -39.94 93.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.741 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.66 94.11 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.278 -0.889 . . . . 0.26000000000000001 109.034 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.39 -40.61 97.69 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.147 -0.971 . . . . 0.40000000000000002 109.004 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.03 -47.13 87.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 2.0899999999999999 108.982 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.405 HD21 ' NE2' ' D' ' 36' ' ' GLN . 64.8 tp -60.14 -49.86 75.97 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.344 -0.984 . . . . 0.75 108.344 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -60.0 -41.35 91.89 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.014 -0.735 . . . . 2.1899999999999999 109.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.32 -40.08 89.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.476 -0.765 . . . . 1.3400000000000001 110.216 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.143 -0.973 . . . . 0.71999999999999997 109.923 -178.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.29 0.567 . . . . 1.6699999999999999 109.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . 0.434 ' CB ' HE21 ' B' ' 13' ' ' GLN . 96.4 m-85 -103.42 148.53 25.79 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.388 -0.82 . . . . 0.60999999999999999 109.174 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -132.63 134.75 45.27 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 109.758 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.26 157.1 18.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 108.916 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -146.34 129.6 16.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.103 -0.998 . . . . 0.34999999999999998 108.926 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -85.41 127.18 34.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.9 . . . . 1.3700000000000001 108.806 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.01 120.34 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.421 -0.799 . . . . 0.47999999999999998 110.214 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.76 148.85 38.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.427 -0.796 . . . . 2.0800000000000001 110.054 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.12 125.4 0.69 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.373 -1.091 . . . . 0.40000000000000002 110.373 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' D' ' 21' ' ' GLU . 4.7 tmt_? -68.72 -40.72 79.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -1.047 . . . . 2.6400000000000001 109.475 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.43 -43.7 96.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.123 -0.986 . . . . 2.2200000000000002 109.469 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.44 -39.94 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 2.7400000000000002 109.033 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.82 -47.22 85.56 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.351 -0.843 . . . . 0.42999999999999999 109.27 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' D' ' 17' ' ' ARG . 47.4 mt-10 -59.94 -40.12 87.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.127 -0.983 . . . . 1.6899999999999999 108.519 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 56.4 ttp -62.54 -50.33 71.76 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.392 -0.817 . . . . 0.42999999999999999 109.675 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.25 -40.84 98.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.27000000000000002 108.95 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.88 -40.97 90.52 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.614 -0.884 . . . . 2.4500000000000002 108.614 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -49.82 76.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.438 -0.789 . . . . 1.75 109.0 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -42.7 99.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.31 108.907 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.05 -49.74 76.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 1.22 109.746 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.93 93.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.73 109.746 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.43 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.213 -0.93 . . . . 0.28000000000000003 109.053 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -40.54 97.27 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.31 108.938 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 1.9099999999999999 109.037 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -59.93 -49.93 75.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.426 -0.953 . . . . 0.42999999999999999 108.426 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -60.06 -40.91 91.13 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.214 -0.662 . . . . 1.5700000000000001 109.214 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.66 -40.0 90.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 110.236 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.63 95.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.336 -0.852 . . . . 0.64000000000000001 109.858 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . 0.405 ' NE2' HD21 ' C' ' 32' ' ' LEU . 27.5 mt-30 . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.072 -1.018 . . . . 1.21 109.16 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.542 0.686 . . . . 1.7 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.35 145.56 28.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.505 -0.747 . . . . 0.60999999999999999 109.466 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -135.22 138.99 44.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.197 -0.94 . . . . 0.57999999999999996 109.342 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -90.46 155.77 18.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.422 -0.799 . . . . 0.41999999999999998 109.004 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -145.85 128.33 16.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.022 . . . . 0.35999999999999999 109.039 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.53 126.62 33.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 1.3700000000000001 109.215 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.78 121.79 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.639 -0.663 . . . . 0.46999999999999997 109.345 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -77.22 144.62 38.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.569 -0.707 . . . . 2.1000000000000001 110.075 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.73 125.28 0.93 Allowed Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.263 -0.898 . . . . 0.41999999999999998 111.078 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -65.72 -41.67 91.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -1.09 . . . . 2.6800000000000002 109.236 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.13 -42.96 95.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.753 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 39.1 ttm180 -61.07 -41.95 97.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.407 -0.808 . . . . 2.77 109.051 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.19 -49.26 78.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.42999999999999999 109.143 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.5 -39.35 76.28 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.515 -0.92 . . . . 1.6599999999999999 108.515 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -60.09 -52.15 66.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.344 -0.847 . . . . 0.44 110.475 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -67.2 -39.7 86.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.999 -1.063 . . . . 0.28999999999999998 109.837 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.89 -43.53 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 2.4399999999999999 108.906 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.671 -0.863 . . . . 1.74 108.671 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.52 -42.93 98.43 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.323 -0.861 . . . . 0.29999999999999999 109.261 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.48 -49.68 76.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 1.22 109.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 1.72 109.194 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.99 -48.06 82.95 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.34 -0.85 . . . . 0.27000000000000002 109.351 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.0 -42.92 99.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.115 -0.991 . . . . 0.28999999999999998 109.333 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.13 -40.04 92.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.9099999999999999 109.582 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD22 HD22 ' B' ' 32' ' ' LEU . 3.8 tt -60.13 -51.79 68.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.40999999999999998 109.031 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.67 -40.47 95.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.315 -0.866 . . . . 1.5600000000000001 109.18 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.93 -40.12 87.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 1.4299999999999999 110.114 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.18 88.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.031 -1.043 . . . . 0.66000000000000003 110.113 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.108 -0.995 . . . . 1.1799999999999999 110.001 -179.376 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 121.547 0.689 . . . . 1.6100000000000001 109.57 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -100.39 143.62 30.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.432 -0.793 . . . . 0.56999999999999995 109.442 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -132.61 139.26 47.69 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.238 -0.914 . . . . 0.53000000000000003 109.494 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 65.8 p -90.79 156.69 17.86 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.842 -0.799 . . . . 0.38 108.842 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -147.63 127.54 13.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.022 . . . . 0.35999999999999999 108.817 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -83.7 128.64 34.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.246 -0.909 . . . . 1.3600000000000001 109.086 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -121.47 120.82 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.659 -0.65 . . . . 0.48999999999999999 109.933 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -75.56 143.59 42.33 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.519 -0.738 . . . . 2.1000000000000001 110.133 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.24 125.44 0.86 Allowed Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.462 -0.875 . . . . 0.44 111.457 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -64.73 -41.42 95.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.575 -0.956 . . . . 2.7200000000000002 109.511 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.1 -42.91 95.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 2.21 108.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.549 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 38.8 ttm180 -61.35 -43.04 99.55 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.57 -0.9 . . . . 2.79 108.57 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.19 -48.7 80.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.52 -0.738 . . . . 0.45000000000000001 109.084 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.66 -39.87 81.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 1.6799999999999999 109.163 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.1 ttp -60.81 -51.82 67.71 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.42999999999999999 110.428 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.06 -39.81 90.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.28000000000000003 109.598 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -56.12 -42.43 76.87 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.51 -0.876 . . . . 2.52 108.692 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.05 -47.62 85.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.972 . . . . 1.75 108.979 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.85 -42.09 90.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 0.31 109.521 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.363 -0.836 . . . . 1.21 109.723 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.54 -37.26 85.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.605 -0.684 . . . . 1.6899999999999999 109.324 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.48 -47.75 84.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.27000000000000002 109.12 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.8 -41.87 98.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 0.29999999999999999 109.342 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.66 -40.32 94.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 1.9299999999999999 109.012 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.673 HD22 HD22 ' A' ' 32' ' ' LEU . 3.4 tt -60.5 -52.43 65.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.779 -0.823 . . . . 0.40000000000000002 108.779 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -61.14 -40.76 95.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 1.5900000000000001 109.224 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.466 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.1 m-20 -60.55 -39.6 88.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.525 -0.735 . . . . 1.4299999999999999 110.068 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.4 94.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.079 -1.013 . . . . 0.65000000000000002 110.058 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 120.766 -1.209 . . . . 1.1899999999999999 109.817 -179.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 121.453 0.644 . . . . 2.1099999999999999 109.523 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.5 140.62 35.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.372 -0.83 . . . . 0.64000000000000001 109.566 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.63 139.85 51.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.332 -0.855 . . . . 0.48999999999999999 109.508 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -90.91 156.75 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.694 -0.854 . . . . 0.46999999999999997 108.694 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.05 127.97 14.48 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.061 -1.025 . . . . 0.41999999999999998 108.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -84.26 127.1 33.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.42 -0.8 . . . . 1.8100000000000001 109.284 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.2 122.24 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.343 -0.848 . . . . 0.41999999999999998 109.774 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -78.04 142.78 37.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.496 -0.753 . . . . 2.3500000000000001 110.543 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 124.22 1.19 Allowed Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.858 -0.897 . . . . 0.40999999999999998 110.858 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -64.09 -42.12 97.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -1.078 . . . . 2.5899999999999999 109.674 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.82 -42.4 93.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.045 -1.034 . . . . 2.54 108.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.496 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.674 -0.861 . . . . 3.3900000000000001 108.674 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.81 -48.42 81.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.483 -0.761 . . . . 0.46999999999999997 109.545 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.55 -39.21 83.23 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.191 -0.943 . . . . 1.6599999999999999 109.158 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 49.6 ttp -60.6 -53.38 58.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 0.60999999999999999 110.416 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.94 -39.17 93.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.951 -1.093 . . . . 0.33000000000000002 109.565 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -56.49 -43.07 79.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 108.823 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.18 -46.99 87.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.68 -0.859 . . . . 1.78 108.68 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.67 -43.76 88.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.451 -0.781 . . . . 0.38 109.374 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -60.14 -48.63 80.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 1.2 109.888 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.6 -39.88 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.397 -0.814 . . . . 2.1200000000000001 109.798 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.01 -45.94 91.1 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.457 -0.777 . . . . 0.26000000000000001 109.402 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.4 -41.36 98.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.40000000000000002 108.779 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.345 -0.847 . . . . 2.0899999999999999 108.798 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.513 ' O ' HD23 ' C' ' 32' ' ' LEU . 3.4 tt -60.51 -52.16 66.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.452 -0.78 . . . . 0.75 109.379 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.406 ' HZ3' HD12 ' D' ' 32' ' ' LEU . 18.9 ttmm -61.12 -41.37 96.58 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.123 -0.985 . . . . 2.1899999999999999 109.225 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.557 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.6 m-20 -60.68 -39.6 89.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.594 -0.691 . . . . 1.3400000000000001 110.386 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.131 -0.981 . . . . 0.71999999999999997 110.038 -179.017 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 121.376 0.608 . . . . 1.6699999999999999 109.813 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 140.82 33.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.423 -0.798 . . . . 0.60999999999999999 109.19 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.03 137.49 50.28 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.257 -0.902 . . . . 0.56000000000000005 109.388 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.12 153.71 20.75 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.698 -0.853 . . . . 0.42999999999999999 108.698 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -144.79 128.5 17.22 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.12 -0.988 . . . . 0.34999999999999998 108.703 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.15 128.33 34.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 1.3700000000000001 109.359 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -120.65 121.79 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.606 -0.684 . . . . 0.47999999999999998 109.662 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.78 144.11 39.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.0800000000000001 109.925 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 124.94 1.18 Allowed Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.196 -0.94 . . . . 0.40000000000000002 111.057 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -66.35 -40.8 90.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -1.158 . . . . 2.6400000000000001 108.921 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.26 -42.53 95.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.159 -0.963 . . . . 2.2200000000000002 108.707 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.466 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 39.2 ttm180 -61.92 -41.04 97.46 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.488 -0.758 . . . . 2.7400000000000002 109.211 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.12 -49.2 78.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.817 . . . . 0.42999999999999999 109.268 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.83 -39.18 77.05 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.446 -0.784 . . . . 1.6899999999999999 108.934 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 54.6 ttp -60.4 -52.8 63.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.326 -0.859 . . . . 0.42999999999999999 109.952 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.98 -39.88 90.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.123 -0.985 . . . . 0.27000000000000002 109.977 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.29 -42.29 77.28 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.084 -1.01 . . . . 2.4500000000000002 108.526 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.13 -48.9 79.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.316 -0.865 . . . . 1.75 109.031 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.38 -42.85 95.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.31 109.311 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.14 -50.23 74.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.232 -0.917 . . . . 1.22 109.882 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.45 -38.61 87.85 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.392 -0.818 . . . . 1.73 109.255 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.79 -45.94 90.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.907 . . . . 0.28000000000000003 109.74 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -40.86 98.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.045 -1.034 . . . . 0.31 109.088 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.85 -40.27 94.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 1.9099999999999999 109.343 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 32' ' ' LEU . 3.7 tt -59.99 -51.54 69.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.42999999999999999 108.913 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.42 -40.4 96.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 1.5700000000000001 109.477 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.549 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.7 m-20 -60.4 -39.84 88.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.311 -0.868 . . . . 1.4399999999999999 110.146 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.52 90.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.64000000000000001 109.89 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 C--N 1.303 -1.443 0 O-C-N 121.185 -0.947 . . . . 1.21 110.023 -179.722 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.324 -0.621 . . . . 1.7 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -109.96 142.05 41.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.494 -0.754 . . . . 0.60999999999999999 109.749 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.17 140.45 45.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.57999999999999996 109.528 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -89.63 155.09 19.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.282 -0.886 . . . . 0.41999999999999998 109.172 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.96 129.38 16.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.121 -0.987 . . . . 0.35999999999999999 109.285 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.08 127.94 34.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 1.3700000000000001 109.083 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.06 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 110.186 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -75.63 145.93 40.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.457 -0.777 . . . . 2.1000000000000001 109.701 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.96 0.98 Allowed Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.053 -1.219 . . . . 0.41999999999999998 110.053 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.425 HH11 ' HG2' ' A' ' 17' ' ' ARG . 29.6 ttt-85 -67.96 -42.33 81.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -1.122 . . . . 2.6800000000000002 109.111 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.2 -41.4 92.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 108.945 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.54 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 38.8 ttm180 -60.04 -40.11 88.27 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.505 -0.747 . . . . 2.77 109.195 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.91 -46.82 88.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.439 -0.788 . . . . 0.42999999999999999 109.615 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.93 -40.08 87.68 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.136 -0.977 . . . . 1.6599999999999999 109.659 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.15 -50.63 72.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.18 -0.95 . . . . 0.44 110.437 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -64.67 -39.98 94.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.007 . . . . 0.28999999999999998 109.521 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -54.37 -44.34 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.133 -0.979 . . . . 2.4399999999999999 108.668 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -48.11 83.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.062 -1.024 . . . . 1.74 108.513 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.02 -43.83 97.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.29999999999999999 109.186 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 1.22 109.221 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -39.91 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.431 -0.793 . . . . 1.72 109.537 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.7 -48.43 81.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.27000000000000002 109.73 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.93 -41.21 97.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.28999999999999998 109.6 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.97 -43.38 95.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.18 -0.95 . . . . 1.9099999999999999 109.613 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.99 -52.39 64.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.093 -1.004 . . . . 0.40999999999999998 109.236 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.5 -45.27 91.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.381 -0.824 . . . . 1.5600000000000001 109.77 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 66.1 m-20 -59.97 -40.11 87.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 1.4299999999999999 109.893 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.15 73.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.66000000000000003 109.329 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.47 -0.769 . . . . 1.1799999999999999 109.664 -179.771 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.406 -0.59 . . . . 1.6100000000000001 109.406 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -108.55 141.94 39.71 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.457 -0.777 . . . . 0.56999999999999995 109.84 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -135.02 140.11 45.36 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.387 -0.82 . . . . 0.53000000000000003 109.456 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -89.09 155.28 19.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.38 109.173 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.21 129.68 16.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.087 -1.008 . . . . 0.35999999999999999 109.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.48 127.98 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 1.3600000000000001 109.12 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -119.96 120.02 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.481 -0.762 . . . . 0.48999999999999999 110.231 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -75.57 145.39 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.462 -0.774 . . . . 2.1000000000000001 109.903 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 122.21 0.95 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.134 -1.186 . . . . 0.44 110.134 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' B' ' 17' ' ' ARG . 30.5 ttt-85 -67.13 -42.04 85.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -1.177 . . . . 2.7200000000000002 109.389 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.31 -41.68 93.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.025 -1.047 . . . . 2.21 108.92 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 39.0 ttm180 -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.537 -0.727 . . . . 2.79 109.258 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.86 -47.03 87.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.512 -0.742 . . . . 0.45000000000000001 109.579 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -39.97 87.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.235 -0.916 . . . . 1.6799999999999999 109.554 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.07 -50.88 71.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.374 -0.829 . . . . 0.42999999999999999 110.272 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -64.36 -39.92 94.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.28000000000000003 109.593 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.61 -44.12 72.82 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.244 -0.91 . . . . 2.52 108.751 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -47.98 83.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 1.75 108.548 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.49 -43.8 96.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.31 109.093 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.03 -49.85 76.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.359 -0.838 . . . . 1.21 109.182 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -39.99 90.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.5 -0.75 . . . . 1.6899999999999999 109.52 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.67 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.7 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.55 -41.06 96.8 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.14 -0.975 . . . . 0.29999999999999999 109.582 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.01 -43.34 95.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.9299999999999999 109.511 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.16 -52.51 63.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.098 -1.001 . . . . 0.40000000000000002 109.218 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.4 -45.33 91.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.435 -0.791 . . . . 1.5900000000000001 109.832 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 64.7 m-20 -60.19 -40.16 89.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.897 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.99 73.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 0.65000000000000002 109.277 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.488 1.466 0 O-C-N 121.308 -0.87 . . . . 1.1899999999999999 109.63 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.488 1.432 0 N-CA-C 109.213 -0.662 . . . . 2.1099999999999999 109.213 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -109.94 142.17 41.67 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.504 -0.748 . . . . 0.64000000000000001 109.744 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.27 140.13 44.95 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.413 -0.804 . . . . 0.48999999999999999 109.567 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -89.19 155.0 19.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.46999999999999997 109.131 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.96 129.62 17.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.206 -0.934 . . . . 0.41999999999999998 109.192 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -85.24 128.08 34.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.884 . . . . 1.8100000000000001 109.079 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.06 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.487 -0.758 . . . . 0.41999999999999998 110.163 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -75.63 145.79 40.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 2.3500000000000001 109.62 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 122.68 0.96 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.052 -1.219 . . . . 0.40999999999999998 110.052 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.418 HH11 ' HG2' ' C' ' 17' ' ' ARG . 29.9 ttt-85 -68.05 -41.75 81.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -1.125 . . . . 2.5899999999999999 109.247 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.42 -41.71 94.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.037 -1.039 . . . . 2.54 108.873 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 3.3900000000000001 109.173 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.81 -46.7 88.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.46999999999999997 109.588 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.08 -40.03 88.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 109.556 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.1 -50.75 72.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.60999999999999999 110.444 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.54 -40.0 94.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.997 -1.065 . . . . 0.33000000000000002 109.454 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -54.34 -44.58 72.23 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.937 . . . . 3.2799999999999998 108.779 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -47.97 83.65 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.116 -0.99 . . . . 1.78 108.582 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.11 -43.83 97.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 0.38 109.124 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.317 -0.864 . . . . 1.2 109.238 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.472 -0.768 . . . . 2.1200000000000001 109.549 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.85 -48.71 80.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.395 -0.815 . . . . 0.26000000000000001 109.681 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.49 -40.96 96.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.186 -0.946 . . . . 0.40000000000000002 109.538 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 2.0899999999999999 109.561 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.13 -52.51 63.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.178 -0.951 . . . . 0.75 109.292 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.25 -45.27 92.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 2.1899999999999999 109.778 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.54 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 62.5 m-20 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.848 . . . . 1.3400000000000001 109.824 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.71999999999999997 109.369 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.287 -0.634 . . . . 1.6699999999999999 109.287 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -109.72 141.92 41.65 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.395 -0.816 . . . . 0.60999999999999999 109.736 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.97 140.06 45.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.425 -0.797 . . . . 0.56000000000000005 109.533 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.93 155.51 19.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 109.14 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.46 128.85 15.88 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.34999999999999998 109.253 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -84.54 128.15 34.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 1.3700000000000001 109.165 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.99 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.368 -0.833 . . . . 0.47999999999999998 110.29 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -75.86 145.98 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.447 -0.783 . . . . 2.0800000000000001 109.751 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.01 122.43 0.94 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.042 -1.223 . . . . 0.40000000000000002 110.042 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.426 HH11 ' HG2' ' D' ' 17' ' ' ARG . 30.9 ttt-85 -67.64 -42.37 82.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.244 . . . . 2.6400000000000001 109.062 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.21 -41.12 92.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 108.902 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 38.8 ttm180 -60.29 -39.99 88.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.78 . . . . 2.7400000000000002 109.182 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.02 -46.91 87.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.484 -0.76 . . . . 0.42999999999999999 109.561 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.01 -39.94 87.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.213 -0.93 . . . . 1.6899999999999999 109.689 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -60.15 -50.46 73.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.172 -0.955 . . . . 0.42999999999999999 110.281 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -64.74 -39.93 94.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.02 -1.05 . . . . 0.27000000000000002 109.608 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -54.66 -44.12 73.0 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.231 -0.918 . . . . 2.4500000000000002 108.659 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.93 -48.06 83.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.157 -0.965 . . . . 1.75 108.597 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.45 -43.6 96.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 0.31 109.216 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.98 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.331 -0.856 . . . . 1.22 109.201 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.04 90.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 1.73 109.466 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.63 -48.59 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.331 -0.855 . . . . 0.28000000000000003 109.677 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.74 -41.1 97.21 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.247 -0.908 . . . . 0.31 109.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.13 -43.32 95.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.5 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.05 -52.42 64.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 109.321 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.57 -45.23 91.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.403 -0.81 . . . . 1.5700000000000001 109.781 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.527 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 65.8 m-20 -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.859 . . . . 1.4399999999999999 110.007 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.14 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.64000000000000001 109.478 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.456 -0.777 . . . . 1.21 109.664 -179.652 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.542 0.686 . . . . 1.7 109.591 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.38 147.25 23.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.566 -0.709 . . . . 0.60999999999999999 109.524 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -137.48 140.85 41.45 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.37 -0.831 . . . . 0.57999999999999996 109.396 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.41 156.78 18.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.244 -0.91 . . . . 0.41999999999999998 109.241 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -147.17 130.07 16.23 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.121 -0.987 . . . . 0.35999999999999999 109.223 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.46 128.86 34.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.479 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.45 119.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.46999999999999997 109.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.492 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 2.0 tmm_? -79.89 130.65 35.47 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 2.1000000000000001 109.943 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.41 114.03 3.9 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 110.138 -1.185 . . . . 0.41999999999999998 110.138 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -60.11 -46.83 88.28 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.341 -1.094 . . . . 2.6800000000000002 109.254 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.99 -40.1 88.0 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 109.042 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.611 ' NH1' HD22 ' C' ' 30' ' ' LEU . 8.0 tpp180 -62.04 -40.02 94.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.426 -0.796 . . . . 2.77 109.114 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.11 -45.95 89.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.392 -0.818 . . . . 0.42999999999999999 108.9 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.91 -40.79 90.01 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 108.874 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.9 ttp -62.14 -50.15 73.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.44 109.297 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.92 -39.97 96.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.442 -0.786 . . . . 0.28999999999999998 109.387 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.47 -43.19 88.82 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.138 -0.976 . . . . 2.4399999999999999 108.48 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' D' ' 19' ' ' ARG . 88.3 tt0 -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.337 -0.852 . . . . 1.74 108.986 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.87 -43.47 98.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.29999999999999999 109.238 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.82 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.426 -0.797 . . . . 1.22 109.137 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.58 -40.02 93.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.549 -0.719 . . . . 1.72 109.988 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.54 -47.32 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.21 -0.931 . . . . 0.27000000000000002 109.523 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD22 ' NH1' ' C' ' 19' ' ' ARG . 81.5 mt -62.38 -40.93 98.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.186 -0.946 . . . . 0.28999999999999998 109.608 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.16 -44.6 94.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.58 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 HD21 ' NE2' ' B' ' 36' ' ' GLN . 58.8 tp -60.13 -49.99 75.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.157 -0.964 . . . . 0.40999999999999998 109.428 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -61.12 -40.06 92.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.5600000000000001 109.255 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD2' ' NH2' ' C' ' 15' ' ' ARG . 90.5 m-20 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 1.4299999999999999 109.623 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.67 88.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.66000000000000003 109.423 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.961 . . . . 1.1799999999999999 109.723 -179.789 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.392 0.615 . . . . 1.6100000000000001 109.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.22 147.37 23.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.48 -0.762 . . . . 0.56999999999999995 109.538 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.54 141.13 41.4 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.331 -0.856 . . . . 0.53000000000000003 109.358 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 58.0 p -88.35 157.26 18.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.166 -0.959 . . . . 0.38 109.173 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.41 130.08 16.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.17 -0.956 . . . . 0.35999999999999999 109.178 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' D' ' 9' ' ' TYR . 7.4 tt0 -84.39 128.39 34.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 1.3600000000000001 109.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.95 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.431 -0.793 . . . . 0.48999999999999999 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.505 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 1.9 tmm_? -79.54 131.45 36.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.3 -0.875 . . . . 2.1000000000000001 109.815 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.56 114.32 3.94 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 110.326 -1.109 . . . . 0.44 110.326 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.96 -47.2 86.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -1.097 . . . . 2.7200000000000002 109.265 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 2.21 109.14 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.565 ' NH1' HD22 ' D' ' 30' ' ' LEU . 8.7 tpp180 -61.91 -39.95 93.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.397 -0.815 . . . . 2.79 108.945 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.07 -46.17 88.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.8 . . . . 0.45000000000000001 108.917 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 -40.12 87.75 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.722 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.48 -49.99 73.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.469 -0.769 . . . . 0.42999999999999999 109.388 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.23 -40.05 96.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.399 -0.813 . . . . 0.28000000000000003 109.487 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -58.32 -42.84 87.62 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.087 -1.008 . . . . 2.52 108.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.51 ' OE2' ' NH1' ' C' ' 19' ' ' ARG . 88.9 tt0 -60.07 -48.24 82.54 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.39 -0.819 . . . . 1.75 108.972 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.42 -43.63 98.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 0.31 109.14 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -60.03 -47.91 83.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 1.21 109.283 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.45 -40.01 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.558 -0.714 . . . . 1.6899999999999999 110.1 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.8 -46.61 88.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.16 -0.963 . . . . 0.27000000000000002 109.562 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.619 HD22 ' NH1' ' D' ' 19' ' ' ARG . 82.9 mt -62.71 -41.15 99.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.635 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.437 -0.789 . . . . 1.9299999999999999 109.595 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.04 -49.94 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 0.40000000000000002 109.382 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -61.14 -40.08 92.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 1.5900000000000001 109.336 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' NH2' ' D' ' 15' ' ' ARG . 86.8 m-20 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.639 -0.663 . . . . 1.4299999999999999 109.762 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.02 90.2 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.236 -0.915 . . . . 0.65000000000000002 109.532 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.4 ' NE2' HD21 ' A' ' 32' ' ' LEU . 27.6 mt-30 . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.102 -0.999 . . . . 1.1899999999999999 109.792 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.416 0.627 . . . . 2.1099999999999999 109.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.77 147.27 23.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.348 -0.845 . . . . 0.64000000000000001 109.498 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -137.23 141.53 42.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.403 -0.811 . . . . 0.48999999999999999 109.286 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 66.3 p -89.11 156.52 18.77 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.46999999999999997 109.185 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -146.78 129.96 16.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.066 -1.021 . . . . 0.41999999999999998 109.172 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.31 128.62 34.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.8100000000000001 109.373 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 120.04 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.514 -0.741 . . . . 0.41999999999999998 109.267 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.48 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 1.7 tmm_? -79.4 131.23 36.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.338 -0.851 . . . . 2.3500000000000001 109.766 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.88 114.26 3.94 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.48 -1.048 . . . . 0.40999999999999998 110.48 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.04 -47.12 87.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 2.5899999999999999 109.249 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.897 -1.127 . . . . 2.54 109.076 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.533 ' NH1' HD22 ' A' ' 30' ' ' LEU . 8.6 tpp180 -61.58 -40.08 93.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.432 -0.792 . . . . 3.3900000000000001 108.973 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.29 -46.29 88.96 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.448 -0.782 . . . . 0.46999999999999997 109.082 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.88 -40.1 87.54 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.174 -0.954 . . . . 1.6599999999999999 108.57 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.32 -49.87 73.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.33 -0.856 . . . . 0.60999999999999999 109.349 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -63.64 -40.04 95.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.448 -0.782 . . . . 0.33000000000000002 109.43 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -58.34 -42.81 87.66 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.003 -1.06 . . . . 3.2799999999999998 108.517 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' B' ' 19' ' ' ARG . 89.0 tt0 -59.97 -48.39 81.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.287 -0.883 . . . . 1.78 108.969 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.12 -43.92 98.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.38 109.259 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.53 85.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.427 -0.796 . . . . 1.2 109.255 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.76 -39.9 93.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.518 -0.739 . . . . 2.1200000000000001 109.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.87 -46.79 88.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.147 -0.971 . . . . 0.26000000000000001 109.549 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.611 HD22 ' NH1' ' A' ' 19' ' ' ARG . 83.2 mt -62.52 -41.12 98.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.157 -0.964 . . . . 0.40000000000000002 109.667 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.23 -44.42 95.21 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 2.0899999999999999 109.673 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.14 -49.9 75.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 0.75 109.175 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.57 -39.97 93.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.18 -0.95 . . . . 2.1899999999999999 109.212 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.492 ' OD2' ' NH2' ' A' ' 15' ' ' ARG . 89.8 m-20 -59.96 -40.12 87.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -0.77 . . . . 1.3400000000000001 109.657 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.71999999999999997 109.644 -179.86 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.447 0.642 . . . . 1.6699999999999999 109.378 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . 0.433 ' CD2' ' OE1' ' B' ' 13' ' ' GLN . 97.8 m-85 -96.18 146.67 24.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.423 -0.798 . . . . 0.60999999999999999 109.544 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -136.81 141.35 42.89 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.407 -0.808 . . . . 0.56000000000000005 109.439 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -88.57 157.23 18.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 0.42999999999999999 109.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.46 129.99 15.88 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.073 -1.017 . . . . 0.34999999999999998 109.163 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.39 128.85 34.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.491 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.12 119.97 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.459 -0.776 . . . . 0.47999999999999998 109.348 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . 0.521 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 1.8 tmm_? -79.73 130.75 35.61 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 2.0800000000000001 109.914 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.94 114.58 3.98 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.281 -1.128 . . . . 0.40000000000000002 110.281 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.93 -47.34 86.18 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.463 -1.022 . . . . 2.6400000000000001 109.422 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.0 -40.13 88.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.908 -1.12 . . . . 2.2200000000000002 108.999 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.619 ' NH1' HD22 ' B' ' 30' ' ' LEU . 8.0 tpp180 -61.93 -39.95 93.84 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.329 -0.857 . . . . 2.7400000000000002 109.009 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.02 -45.99 89.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.866 -0.79 . . . . 0.42999999999999999 108.866 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 -40.39 88.82 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.187 -0.946 . . . . 1.6899999999999999 108.972 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.8 ttp -62.66 -50.0 72.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 109.233 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.97 -40.02 96.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.807 . . . . 0.27000000000000002 109.437 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.67 -42.72 89.09 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.044 -1.035 . . . . 2.4500000000000002 108.38 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 88.1 tt0 -60.18 -47.99 83.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.896 . . . . 1.75 108.936 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.39 -44.0 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 0.31 109.202 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.98 -47.32 86.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.406 -0.809 . . . . 1.22 109.354 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.95 -40.09 94.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 1.73 109.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.88 -46.01 90.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 0.28000000000000003 109.651 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . 0.565 HD22 ' NH1' ' B' ' 19' ' ' ARG . 80.8 mt -63.57 -40.58 97.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.09 -1.006 . . . . 0.31 109.339 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.14 -44.93 94.58 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.269 -0.894 . . . . 1.9099999999999999 109.78 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.216 -0.928 . . . . 0.42999999999999999 109.347 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.07 -40.19 92.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 1.5700000000000001 109.201 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.505 ' OD2' ' NH2' ' B' ' 15' ' ' ARG . 90.2 m-20 -59.89 -40.12 87.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.524 -0.735 . . . . 1.4399999999999999 109.655 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.06 89.1 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.266 -0.896 . . . . 0.64000000000000001 109.501 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.272 -0.893 . . . . 1.21 109.797 -179.801 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.453 0.644 . . . . 1.7 109.734 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.9 146.61 24.44 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.558 -0.714 . . . . 0.60999999999999999 109.373 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -136.33 140.83 43.61 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.28 -0.888 . . . . 0.57999999999999996 110.041 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -89.9 152.12 21.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.082 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.56 130.47 20.48 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.16 -0.963 . . . . 0.35999999999999999 109.165 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -84.87 128.56 34.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 1.3700000000000001 109.328 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.02 124.38 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.521 -0.737 . . . . 0.46999999999999997 110.023 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -75.35 143.86 42.62 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.518 -0.738 . . . . 2.1000000000000001 110.439 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.24 121.84 0.93 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.646 -0.982 . . . . 0.41999999999999998 110.646 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 17' ' ' ARG . 37.9 ttt-85 -67.19 -42.74 83.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.375 -1.074 . . . . 2.6800000000000002 109.041 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -43.18 95.66 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.057 -1.027 . . . . 2.2200000000000002 108.451 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.476 HH12 ' CD ' ' D' ' 25' ' ' GLU . 10.3 tpp180 -60.41 -39.98 89.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.474 -0.766 . . . . 2.77 108.936 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.3 -45.23 88.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 108.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.46 -40.05 85.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.253 -0.904 . . . . 1.6599999999999999 108.633 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 29.7 ttp -62.52 -49.94 73.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.278 -0.889 . . . . 0.44 109.301 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.81 -40.02 93.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.28999999999999998 109.207 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.79 -44.54 77.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.094 -1.004 . . . . 2.4399999999999999 108.586 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' D' ' 19' ' ' ARG . 88.7 tt0 -59.92 -47.95 83.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 1.74 109.388 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.25 -44.36 97.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.16 -0.963 . . . . 0.29999999999999999 109.397 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 1.22 109.279 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -39.86 91.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.45 -0.781 . . . . 1.72 109.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.712 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -57.8 -48.98 78.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.27000000000000002 109.803 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.35 -41.59 98.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.07 -1.018 . . . . 0.28999999999999998 109.301 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.74 95.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.601 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.04 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 0.40999999999999998 109.216 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.7 -46.88 87.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 1.5600000000000001 109.319 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.978 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.66000000000000003 109.955 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.034 -1.042 . . . . 1.1799999999999999 109.478 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.452 0.644 . . . . 1.6100000000000001 109.803 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.98 147.38 23.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.357 -0.839 . . . . 0.56999999999999995 109.429 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -136.84 141.53 42.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.271 -0.893 . . . . 0.53000000000000003 110.002 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -90.8 151.34 21.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.51 -0.744 . . . . 0.38 109.085 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.73 130.28 21.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.267 -0.895 . . . . 0.35999999999999999 109.179 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.18 128.82 34.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 1.3600000000000001 109.242 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.42 124.19 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.553 -0.717 . . . . 0.48999999999999999 109.794 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -75.09 144.5 42.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.552 -0.717 . . . . 2.1000000000000001 110.285 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.58 121.42 0.81 Allowed Glycine 0 N--CA 1.495 2.598 0 C-N-CA 120.396 -0.907 . . . . 0.44 110.88 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 38.1 ttt-85 -66.82 -42.92 85.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 2.7200000000000002 109.174 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.91 -43.23 94.97 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.039 -1.038 . . . . 2.21 108.381 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.564 HH12 ' CD ' ' C' ' 25' ' ' GLU . 10.1 tpp180 -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.417 -0.802 . . . . 2.79 108.985 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.43 -45.06 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.36 -0.838 . . . . 0.45000000000000001 109.06 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 99.3 mt-10 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.259 -0.901 . . . . 1.6799999999999999 108.572 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 28.2 ttp -62.2 -50.44 71.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.368 -0.833 . . . . 0.42999999999999999 109.305 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.67 -40.03 93.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.386 -0.821 . . . . 0.28000000000000003 109.189 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.6 -44.5 77.03 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.219 -0.925 . . . . 2.52 108.66 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.551 ' CD ' HH12 ' C' ' 19' ' ' ARG . 88.4 tt0 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.361 -0.837 . . . . 1.75 109.332 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.87 -44.33 97.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 0.31 109.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.03 -50.05 75.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 1.21 109.324 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.01 -39.72 90.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.479 -0.763 . . . . 1.6899999999999999 109.931 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.712 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.05 -49.33 77.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.159 -0.963 . . . . 0.27000000000000002 109.634 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.92 -41.65 98.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.014 . . . . 0.29999999999999999 109.352 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.77 95.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.299 -0.876 . . . . 1.9299999999999999 109.718 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.326 -0.858 . . . . 0.40000000000000002 109.203 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.64 -47.33 85.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.413 -0.805 . . . . 1.5900000000000001 109.352 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.95 -39.98 87.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.625 -0.672 . . . . 1.4299999999999999 110.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.08 95.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.885 . . . . 0.65000000000000002 109.768 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 1.1899999999999999 109.643 179.735 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.538 0.685 . . . . 2.1099999999999999 109.641 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -96.2 146.41 24.71 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.488 -0.758 . . . . 0.64000000000000001 109.336 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -136.2 140.82 43.84 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.275 -0.891 . . . . 0.48999999999999999 109.964 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.84 154.09 20.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.847 . . . . 0.46999999999999997 108.998 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.19 129.91 18.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 0.41999999999999998 109.211 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.02 128.78 34.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 1.8100000000000001 109.433 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.16 124.29 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.521 -0.737 . . . . 0.41999999999999998 109.847 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.22 144.39 42.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.419 -0.8 . . . . 2.3500000000000001 110.252 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.57 121.91 0.84 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.728 -0.949 . . . . 0.40999999999999998 110.728 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.423 HH11 ' HG2' ' C' ' 17' ' ' ARG . 36.4 ttt-85 -67.25 -42.41 83.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -1.062 . . . . 2.5899999999999999 109.195 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.4 -43.15 96.94 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.321 -0.992 . . . . 2.54 108.321 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.551 HH12 ' CD ' ' B' ' 25' ' ' GLU . 9.9 tpp180 -60.35 -39.92 88.87 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.949 -0.76 . . . . 3.3900000000000001 108.949 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.0 -44.27 91.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.46999999999999997 108.979 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.93 -40.02 87.49 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.251 -0.906 . . . . 1.6599999999999999 108.566 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 28.9 ttp -62.52 -50.36 71.68 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.469 -0.769 . . . . 0.60999999999999999 109.499 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.72 -39.96 93.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.395 -0.815 . . . . 0.33000000000000002 109.136 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.52 -44.59 76.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.183 -0.948 . . . . 3.2799999999999998 108.691 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . 0.564 ' CD ' HH12 ' B' ' 19' ' ' ARG . 88.5 tt0 -60.09 -48.18 82.81 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.354 -0.841 . . . . 1.78 109.338 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.92 -44.5 97.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.38 109.331 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.92 -50.03 75.38 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.22 -0.925 . . . . 1.2 109.234 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.98 -40.04 91.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 2.1200000000000001 109.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -57.57 -49.97 74.63 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 0.26000000000000001 109.609 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.33 -41.88 97.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.058 -1.026 . . . . 0.40000000000000002 109.381 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.54 94.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 2.0899999999999999 109.467 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.75 109.257 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.71 -47.14 86.6 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.366 -0.834 . . . . 2.1899999999999999 109.259 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.97 -40.07 87.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.556 -0.715 . . . . 1.3400000000000001 110.01 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 0.71999999999999997 110.011 -179.15 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.398 0.618 . . . . 1.6699999999999999 109.787 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.68 147.31 23.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.406 -0.809 . . . . 0.60999999999999999 109.554 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.81 140.96 42.86 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.296 -0.877 . . . . 0.56000000000000005 110.062 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.8 p -90.45 151.29 21.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.378 -0.826 . . . . 0.42999999999999999 109.069 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.52 130.53 21.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.34999999999999998 109.357 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.53 128.74 34.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.262 -0.899 . . . . 1.3700000000000001 109.257 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.33 123.96 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.488 -0.757 . . . . 0.47999999999999998 109.798 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -74.84 144.33 43.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.443 -0.786 . . . . 2.0800000000000001 110.379 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.8 121.17 0.82 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.766 -0.934 . . . . 0.40000000000000002 110.766 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' D' ' 17' ' ' ARG . 38.5 ttt-85 -66.52 -42.79 86.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.427 -1.043 . . . . 2.6400000000000001 109.24 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -43.24 95.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.107 -0.996 . . . . 2.2200000000000002 108.407 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' A' ' 25' ' ' GLU . 10.2 tpp180 -60.24 -40.05 88.87 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.014 -0.736 . . . . 2.7400000000000002 109.014 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.55 -44.84 89.79 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.237 -0.915 . . . . 0.42999999999999999 109.051 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -40.0 87.2 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 1.6899999999999999 108.627 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 29.2 ttp -62.35 -49.96 73.5 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.35 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.87 -39.96 93.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.27000000000000002 109.224 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.94 -44.47 78.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.139 -0.976 . . . . 2.4500000000000002 108.654 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . 0.476 ' CD ' HH12 ' A' ' 19' ' ' ARG . 88.6 tt0 -59.95 -47.99 83.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.532 -0.73 . . . . 1.75 109.321 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.29 -44.45 97.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.184 -0.948 . . . . 0.31 109.259 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.06 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 1.22 109.249 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -40.01 91.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.461 -0.774 . . . . 1.73 110.041 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -57.74 -49.58 76.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.192 -0.942 . . . . 0.28000000000000003 109.63 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.84 -41.37 97.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.04 -1.037 . . . . 0.31 109.499 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -42.73 96.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.42999999999999999 109.006 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.59 -47.3 86.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.839 . . . . 1.5700000000000001 109.49 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.07 -40.04 88.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.694 -0.629 . . . . 1.4399999999999999 110.045 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.97 94.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.64000000000000001 109.88 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.16 -0.963 . . . . 1.21 109.526 179.801 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.472 -0.566 . . . . 1.7 109.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.99 145.22 37.35 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.427 -0.796 . . . . 0.60999999999999999 109.457 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.27 138.71 43.77 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.345 -0.847 . . . . 0.57999999999999996 109.292 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.37 157.08 18.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.41999999999999998 109.027 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -146.77 127.04 13.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.14 -0.975 . . . . 0.35999999999999999 109.359 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -84.6 128.86 34.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.657 -0.868 . . . . 1.3700000000000001 108.657 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.04 119.99 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.385 -0.822 . . . . 0.46999999999999997 109.681 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -77.5 138.03 38.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.606 -0.684 . . . . 2.1000000000000001 110.011 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.71 124.74 2.35 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 110.04 -1.224 . . . . 0.41999999999999998 110.04 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 17' ' ' ARG . 14.1 ttt-85 -66.42 -42.45 87.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -1.161 . . . . 2.6800000000000002 109.71 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.19 91.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 2.2200000000000002 108.643 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.477 -0.764 . . . . 2.77 108.998 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.94 -49.06 79.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.42999999999999999 109.554 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.55 -39.27 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.304 -0.873 . . . . 1.6599999999999999 109.119 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -59.96 -51.85 67.93 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.44 110.167 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -67.08 -39.74 86.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.28999999999999998 109.652 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -55.16 -41.78 72.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.2 -0.937 . . . . 2.4399999999999999 108.546 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -49.47 77.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.222 -1.029 . . . . 1.74 108.222 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.4 -44.86 93.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.415 -0.803 . . . . 0.29999999999999999 109.536 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 1.22 109.474 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.9 tt0 -60.2 -39.94 88.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.369 -0.832 . . . . 1.72 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.57 -46.62 88.37 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.278 -0.889 . . . . 0.27000000000000002 109.253 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.72 -41.21 97.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.202 -0.936 . . . . 0.28999999999999998 109.159 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.09 -42.5 94.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.2 -46.57 89.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 0.40999999999999998 108.793 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.505 -0.747 . . . . 1.5600000000000001 109.446 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.03 -40.05 83.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 1.4299999999999999 108.884 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.31 77.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.215 -0.928 . . . . 0.66000000000000003 108.945 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.37 -0.831 . . . . 1.1799999999999999 109.239 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.453 -0.573 . . . . 1.6100000000000001 109.453 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -110.07 144.82 38.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.55 -0.719 . . . . 0.56999999999999995 109.332 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.04 138.52 43.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.34 -0.85 . . . . 0.53000000000000003 109.307 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.03 157.25 18.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.3 -0.875 . . . . 0.38 109.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -146.69 127.39 14.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.145 -0.972 . . . . 0.35999999999999999 109.311 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.09 128.73 34.77 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.567 -0.901 . . . . 1.3600000000000001 108.567 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.0 120.06 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.46 -0.775 . . . . 0.48999999999999999 109.745 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -77.44 138.12 39.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.62 -0.675 . . . . 2.1000000000000001 110.054 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.64 125.43 2.46 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.905 -1.278 . . . . 0.44 109.905 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' B' ' 17' ' ' ARG . 14.2 ttt-85 -67.64 -41.73 83.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -1.165 . . . . 2.7200000000000002 109.604 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.99 -41.39 91.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.988 -1.07 . . . . 2.21 108.632 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.46 -39.93 89.36 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.486 -0.759 . . . . 2.79 109.098 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -0.806 . . . . 0.45000000000000001 109.43 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.1 -39.31 78.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.192 -0.942 . . . . 1.6799999999999999 109.266 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 64.5 ttp -60.05 -51.59 68.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.244 -0.91 . . . . 0.42999999999999999 110.023 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -67.33 -40.0 85.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.05 -1.031 . . . . 0.28000000000000003 109.762 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.79 -41.76 70.95 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.473 -0.936 . . . . 2.52 108.473 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -59.95 -49.88 75.95 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.284 -1.006 . . . . 1.75 108.284 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.32 -44.71 94.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.474 -0.766 . . . . 0.31 109.481 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -60.05 -49.13 78.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 1.21 109.359 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -40.02 88.11 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 1.6899999999999999 109.246 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.61 -46.64 88.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.296 -0.877 . . . . 0.27000000000000002 109.334 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.91 -41.33 97.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.093 -1.004 . . . . 0.29999999999999999 109.256 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -59.99 -42.23 93.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 1.9299999999999999 109.267 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.21 -46.41 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.309 -0.87 . . . . 0.40000000000000002 108.785 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 36.3 ttmt -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.478 -0.764 . . . . 1.5900000000000001 109.474 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.99 -39.93 83.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.876 . . . . 1.4299999999999999 108.933 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.24 77.16 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.244 -0.91 . . . . 0.65000000000000002 108.94 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.1899999999999999 109.313 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.396 -0.594 . . . . 2.1099999999999999 109.396 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -110.07 144.77 38.17 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.359 -0.838 . . . . 0.64000000000000001 109.397 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.18 138.53 43.75 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.48999999999999999 109.321 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -88.1 156.77 19.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.354 -0.841 . . . . 0.46999999999999997 109.041 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -146.23 128.02 15.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.255 -0.903 . . . . 0.41999999999999998 109.15 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.63 128.69 34.84 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.574 -0.899 . . . . 1.8100000000000001 108.574 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -119.94 120.07 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.396 -0.815 . . . . 0.41999999999999998 109.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -77.16 138.07 39.26 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.611 -0.681 . . . . 2.3500000000000001 109.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.81 125.26 2.48 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 110.059 -1.217 . . . . 0.40999999999999998 110.059 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' C' ' 17' ' ' ARG . 14.9 ttt-85 -67.2 -42.11 84.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -1.145 . . . . 2.5899999999999999 109.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.11 -41.35 92.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 2.54 108.629 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.5 -39.97 89.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.991 -0.744 . . . . 3.3900000000000001 108.991 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -60.0 -48.71 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.493 -0.754 . . . . 0.46999999999999997 109.529 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.57 -39.43 80.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.188 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 64.8 ttp -59.97 -52.01 67.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.333 -0.854 . . . . 0.60999999999999999 110.168 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.89 -39.53 87.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.104 -0.998 . . . . 0.33000000000000002 109.637 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -55.33 -41.88 73.06 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.205 -0.935 . . . . 3.2799999999999998 108.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' D' ' 33' ' ' LYS . 54.2 tp10 -59.99 -49.31 78.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.28 -1.007 . . . . 1.78 108.28 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.57 -44.74 93.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.43 -0.794 . . . . 0.38 109.622 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.03 -49.34 78.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 1.2 109.313 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.211 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.58 -46.67 88.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 0.26000000000000001 109.195 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.64 -41.49 97.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.158 -0.963 . . . . 0.40000000000000002 109.197 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.16 -42.01 94.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 2.0899999999999999 109.431 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.56 -46.37 90.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.231 -0.918 . . . . 0.75 108.66 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.11 -39.96 87.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.516 -0.74 . . . . 2.1899999999999999 109.43 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.16 -40.07 84.43 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.263 -0.898 . . . . 1.3400000000000001 108.926 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.439 0 O-C-N 121.238 -0.914 . . . . 0.71999999999999997 109.001 179.355 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.535 -0.542 . . . . 1.6699999999999999 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.0 145.13 37.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.465 -0.772 . . . . 0.60999999999999999 109.464 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.36 138.48 43.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.372 -0.83 . . . . 0.56000000000000005 109.355 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -88.37 156.92 18.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.835 . . . . 0.42999999999999999 109.101 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -146.34 127.92 15.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.937 . . . . 0.34999999999999998 109.15 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.6 128.71 34.84 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.523 -0.917 . . . . 1.3700000000000001 108.523 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.03 119.97 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.335 -0.853 . . . . 0.47999999999999998 109.598 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -77.0 138.12 39.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 2.0800000000000001 110.01 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.65 124.79 2.34 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.106 -1.198 . . . . 0.40000000000000002 110.106 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' D' ' 17' ' ' ARG . 13.6 ttt-85 -66.68 -42.32 86.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -1.151 . . . . 2.6400000000000001 109.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.45 92.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.013 -1.054 . . . . 2.2200000000000002 108.596 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.42 -40.05 89.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.413 -0.804 . . . . 2.7400000000000002 109.119 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.0 -49.38 77.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.334 -0.854 . . . . 0.42999999999999999 109.384 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.1 -39.24 78.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 1.6899999999999999 109.203 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.04 -51.54 69.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.32 -0.862 . . . . 0.42999999999999999 110.154 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -67.15 -40.09 86.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.27000000000000002 109.689 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.81 -41.91 71.22 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.209 -0.932 . . . . 2.4500000000000002 108.52 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -59.96 -49.63 76.93 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.245 -1.021 . . . . 1.75 108.245 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.51 -44.47 94.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 0.31 109.537 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.03 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 1.22 109.435 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -40.09 89.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.493 -0.754 . . . . 1.73 109.313 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.58 -46.74 88.05 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 0.28000000000000003 109.195 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.67 -41.33 97.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 0.31 109.231 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.98 -42.06 93.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.335 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.63 -46.43 90.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.42999999999999999 108.582 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' C' ' 25' ' ' GLU . 36.3 ttmt -60.04 -39.85 87.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.592 -0.693 . . . . 1.5700000000000001 109.443 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.3 -39.92 84.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 1.4399999999999999 108.974 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.92 76.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.169 -0.957 . . . . 0.64000000000000001 108.899 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.21 109.281 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.433 0.635 . . . . 1.7 109.889 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.59 145.84 24.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.346 -0.847 . . . . 0.60999999999999999 108.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.98 141.73 47.39 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.22 -0.925 . . . . 0.57999999999999996 109.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.7 p -89.23 156.42 18.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.877 . . . . 0.41999999999999998 108.776 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -147.09 130.91 17.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.082 -1.011 . . . . 0.35999999999999999 109.22 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.74 127.89 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 1.3700000000000001 109.606 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.97 119.94 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.521 -0.737 . . . . 0.46999999999999997 109.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.8 145.98 38.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.376 -0.827 . . . . 2.1000000000000001 110.435 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 125.52 0.63 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.427 -1.069 . . . . 0.41999999999999998 110.427 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.46 -40.01 89.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -1.071 . . . . 2.6800000000000002 109.116 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.0 -40.96 91.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.09 -1.007 . . . . 2.2200000000000002 109.048 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.87 -39.96 93.71 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.639 -0.874 . . . . 2.77 108.639 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.06 -45.61 92.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.213 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -41.8 92.82 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 108.615 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 ttp -62.09 -49.94 73.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.38 -0.825 . . . . 0.44 109.08 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.5 -39.97 92.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.433 -0.792 . . . . 0.28999999999999998 109.075 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -54.52 -47.41 73.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 2.4399999999999999 108.797 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.72 88.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 1.74 108.883 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.68 -45.55 92.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 0.29999999999999999 109.121 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.04 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.811 . . . . 1.22 109.642 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.75 -39.95 95.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.369 -0.832 . . . . 1.72 109.534 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.82 -49.96 75.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.27000000000000002 109.669 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.28 -41.69 98.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.112 -0.993 . . . . 0.28999999999999998 109.613 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.15 -40.83 95.34 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.07 -1.019 . . . . 1.9099999999999999 109.045 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.26 -46.52 89.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.324 -0.86 . . . . 0.40999999999999998 108.856 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -59.98 -40.04 87.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.417 -0.802 . . . . 1.5600000000000001 109.386 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.97 -39.91 87.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.342 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.66 76.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.151 -0.968 . . . . 0.66000000000000003 109.32 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 1.1799999999999999 109.442 -179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.347 0.594 . . . . 1.6100000000000001 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -95.35 145.58 25.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.287 -0.883 . . . . 0.56999999999999995 109.169 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.91 141.14 47.22 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.38 -0.825 . . . . 0.53000000000000003 109.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -88.77 156.11 19.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.367 -0.833 . . . . 0.38 108.833 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -146.61 131.5 18.1 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.995 -1.065 . . . . 0.35999999999999999 109.363 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.31 128.01 34.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.3600000000000001 109.438 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.03 121.05 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.526 -0.734 . . . . 0.48999999999999999 109.345 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -77.88 145.77 36.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 2.1000000000000001 110.58 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 125.86 0.68 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.38 -1.088 . . . . 0.44 110.38 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.57 -39.93 88.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -1.056 . . . . 2.7200000000000002 109.201 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.01 -40.87 90.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 2.21 109.079 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 44.0 ttm180 -61.98 -40.07 94.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.612 -0.885 . . . . 2.79 108.612 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.332 -0.855 . . . . 0.45000000000000001 109.312 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.86 -41.43 91.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.192 -0.943 . . . . 1.6799999999999999 108.662 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.9 ttp -62.4 -49.95 73.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.401 -0.812 . . . . 0.42999999999999999 108.901 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.46 -40.01 92.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.455 -0.778 . . . . 0.28000000000000003 109.146 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.46 -47.31 73.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 2.52 108.865 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -46.9 87.98 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.349 -0.844 . . . . 1.75 108.936 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.59 -45.66 91.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.292 -0.88 . . . . 0.31 109.051 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.97 -50.07 75.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.433 -0.792 . . . . 1.21 109.533 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.7 -40.0 95.78 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.612 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.81 -49.83 76.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 109.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.05 -42.31 99.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.098 -1.001 . . . . 0.29999999999999999 109.57 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.56 -40.59 92.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.083 -1.011 . . . . 1.9299999999999999 109.146 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.44 -46.62 89.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 0.40000000000000002 108.705 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.94 -40.02 87.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 1.5900000000000001 109.475 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.94 -40.09 87.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.872 . . . . 1.4299999999999999 109.489 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.21 77.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.286 -0.884 . . . . 0.65000000000000002 109.227 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.489 1.509 0 O-C-N 121.263 -0.898 . . . . 1.1899999999999999 109.539 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.38 0.61 . . . . 2.1099999999999999 109.883 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.82 145.67 25.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.395 -0.815 . . . . 0.64000000000000001 109.052 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -133.62 141.48 47.66 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.258 -0.901 . . . . 0.48999999999999999 110.034 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.2 p -88.71 155.5 19.55 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.776 -0.824 . . . . 0.46999999999999997 108.776 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.45 131.77 18.54 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 0.41999999999999998 109.252 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.61 127.98 34.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.325 -0.859 . . . . 1.8100000000000001 109.57 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.04 120.06 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.443 -0.785 . . . . 0.41999999999999998 109.551 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.99 146.17 37.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.347 -0.846 . . . . 2.3500000000000001 110.381 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.92 125.25 0.65 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.424 -1.07 . . . . 0.40999999999999998 110.424 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.33 -39.94 89.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.394 -1.062 . . . . 2.5899999999999999 109.144 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.02 -40.62 89.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 2.54 109.203 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.17 -40.02 94.59 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.174 -0.954 . . . . 3.3900000000000001 108.574 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.11 -45.56 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.371 -0.831 . . . . 0.46999999999999997 109.167 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.22 -0.925 . . . . 1.6599999999999999 108.668 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 31.3 ttp -62.06 -50.07 73.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.293 -0.879 . . . . 0.60999999999999999 109.015 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.41 -0.807 . . . . 0.33000000000000002 109.116 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -54.4 -47.17 73.04 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.18 -0.95 . . . . 3.2799999999999998 108.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -46.95 87.86 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.373 -0.83 . . . . 1.78 108.913 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.69 -45.44 92.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.38 109.017 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.08 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.422 -0.799 . . . . 1.2 109.466 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.64 -39.94 95.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.398 -0.814 . . . . 2.1200000000000001 109.674 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 0.26000000000000001 109.666 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -41.84 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.192 -0.942 . . . . 0.40000000000000002 109.628 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.25 -40.38 93.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.148 -0.97 . . . . 2.0899999999999999 109.031 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.39 -46.86 88.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 0.75 108.759 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.455 -0.778 . . . . 2.1899999999999999 109.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.881 . . . . 1.3400000000000001 109.374 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.323 -0.861 . . . . 0.71999999999999997 109.133 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.341 0.591 . . . . 1.6699999999999999 109.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.49 145.53 25.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.415 -0.803 . . . . 0.60999999999999999 109.047 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.65 141.34 47.57 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.296 -0.877 . . . . 0.56000000000000005 109.935 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.64 156.32 19.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.303 -0.873 . . . . 0.42999999999999999 108.76 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -147.05 131.21 17.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 0.34999999999999998 109.253 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -84.13 127.72 34.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 1.3700000000000001 109.648 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 119.99 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.506 -0.746 . . . . 0.47999999999999998 109.346 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.84 145.99 38.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.322 -0.861 . . . . 2.0800000000000001 110.402 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 124.81 0.62 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.509 -1.036 . . . . 0.40000000000000002 110.509 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -66.0 -40.01 90.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -1.081 . . . . 2.6400000000000001 109.133 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.04 -40.58 89.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 2.2200000000000002 109.15 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -62.21 -39.98 94.58 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.195 -0.94 . . . . 2.7400000000000002 108.534 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -45.41 93.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.291 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -42.02 93.37 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 108.571 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 29.8 ttp -62.09 -49.96 73.86 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.448 -0.782 . . . . 0.42999999999999999 109.042 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.32 -39.93 92.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.27000000000000002 109.242 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.56 -47.23 73.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 2.4500000000000002 108.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.87 -47.2 86.72 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.35 -0.844 . . . . 1.75 108.96 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.73 -45.36 93.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.31 108.979 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.98 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.386 -0.821 . . . . 1.22 109.464 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -62.86 -40.03 96.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.469 -0.769 . . . . 1.73 109.684 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.89 -49.76 76.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.263 -0.898 . . . . 0.28000000000000003 109.757 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.23 -41.76 98.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.143 -0.973 . . . . 0.31 109.63 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.7 -41.24 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.176 -0.953 . . . . 1.9099999999999999 109.094 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -46.4 89.68 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.744 -0.835 . . . . 0.42999999999999999 108.744 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -60.04 -39.97 87.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 1.5700000000000001 109.328 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.3 m-20 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.293 -0.879 . . . . 1.4399999999999999 109.584 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.32 75.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.242 -0.912 . . . . 0.64000000000000001 109.321 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 1.21 109.422 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 40.9 mp0 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.345 -0.613 . . . . 1.7 109.345 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -94.15 142.98 26.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 109.594 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.08 139.57 43.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.448 -0.783 . . . . 0.57999999999999996 109.586 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -89.71 152.73 21.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 0.41999999999999998 108.799 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -147.64 130.18 15.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.987 -1.071 . . . . 0.35999999999999999 109.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.6 129.27 34.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 108.732 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.86 120.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.382 -0.824 . . . . 0.46999999999999997 110.007 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -78.22 141.85 38.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 2.1000000000000001 110.388 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.27 126.16 2.17 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.53 -1.028 . . . . 0.41999999999999998 110.53 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -66.97 -39.97 87.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.449 -1.03 . . . . 2.6800000000000002 109.429 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.67 91.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.44 -0.948 . . . . 2.2200000000000002 108.44 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.3 -42.37 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.429 -0.794 . . . . 2.77 108.911 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.97 -49.87 75.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.42999999999999999 109.105 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.02 -41.63 92.62 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.171 -0.955 . . . . 1.6599999999999999 108.596 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 62.9 ttp -63.32 -50.0 71.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.441 -0.787 . . . . 0.44 109.432 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.73 -41.82 99.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.427 -0.796 . . . . 0.28999999999999998 109.21 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.78 -43.72 90.5 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.318 -0.864 . . . . 2.4399999999999999 109.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.96 -47.55 85.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 1.74 109.446 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.16 -42.57 99.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.188 -0.945 . . . . 0.29999999999999999 109.614 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.15 -0.969 . . . . 1.22 109.141 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' HZ3' ' B' ' 33' ' ' LYS . 98.7 mt-10 -62.22 -40.05 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 1.72 109.702 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.0 -48.58 81.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -0.902 . . . . 0.27000000000000002 109.617 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.43 -43.37 98.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 0.28999999999999998 109.062 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -42.06 94.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.193 -0.942 . . . . 1.9099999999999999 108.878 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.412 HD13 HE22 ' B' ' 36' ' ' GLN . 59.3 tp -60.04 -49.15 78.79 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.749 -0.834 . . . . 0.40999999999999998 108.749 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.96 -38.99 84.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 1.5600000000000001 109.286 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.83 -39.98 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.858 . . . . 1.4299999999999999 109.204 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 0.66000000000000003 108.486 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.489 1.494 0 O-C-N 121.43 -0.794 . . . . 1.1799999999999999 108.905 179.177 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.499 ' N ' ' OE1' ' B' ' 8' ' ' GLU . 39.8 mp0 . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.317 0.58 . . . . 1.6100000000000001 109.49 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.96 144.04 25.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.56999999999999995 109.575 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -137.35 139.26 40.7 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.355 -0.841 . . . . 0.53000000000000003 109.561 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -89.32 152.97 21.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.309 -0.869 . . . . 0.38 108.964 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 tp -147.8 130.62 16.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.119 -0.988 . . . . 0.35999999999999999 109.374 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.96 129.37 34.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 108.781 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.81 120.01 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.452 -0.78 . . . . 0.48999999999999999 110.015 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.45 142.63 37.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.397 -0.815 . . . . 2.1000000000000001 110.206 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 125.4 1.84 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.629 -0.988 . . . . 0.44 110.629 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.43 -39.9 89.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -1.077 . . . . 2.7200000000000002 109.379 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -45.23 93.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.133 -0.979 . . . . 2.21 108.502 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.66 -42.39 96.93 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.809 -0.811 . . . . 2.79 108.809 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.01 -49.72 76.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.45000000000000001 109.228 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.93 -41.62 92.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.095 -1.003 . . . . 1.6799999999999999 108.481 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.42 -50.01 71.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.33 -0.856 . . . . 0.42999999999999999 109.5 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.98 -40.94 99.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.28000000000000003 109.128 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -59.3 -44.07 92.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.316 -0.865 . . . . 2.52 109.001 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -47.3 86.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 1.75 109.573 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.21 -42.46 99.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.105 -0.997 . . . . 0.31 109.522 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 1.21 109.217 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.39 -39.97 94.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.545 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -60.04 -49.09 79.03 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.912 . . . . 0.27000000000000002 109.606 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 0.29999999999999999 108.955 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -42.07 93.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 108.877 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 -49.14 78.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 0.40000000000000002 108.861 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.408 ' HZ3' ' HB2' ' A' ' 28' ' ' GLU . 36.4 ttmt -60.01 -38.92 84.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.765 . . . . 1.5900000000000001 109.252 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.6 m-20 -58.62 -40.01 82.11 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.319 -0.863 . . . . 1.4299999999999999 109.329 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.99 96.07 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.083 -1.011 . . . . 0.65000000000000002 108.647 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.412 HE22 HD13 ' A' ' 32' ' ' LEU . 7.2 tt0 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.374 -0.829 . . . . 1.1899999999999999 108.793 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 39.9 mp0 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.361 0.601 . . . . 2.1099999999999999 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.01 143.35 26.43 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.444 -0.785 . . . . 0.64000000000000001 109.632 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -137.08 139.42 41.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.499 -0.751 . . . . 0.48999999999999999 109.471 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -89.19 153.16 21.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.35 -0.844 . . . . 0.46999999999999997 109.041 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -148.15 130.03 15.24 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.02 -1.05 . . . . 0.41999999999999998 109.417 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.45 129.28 34.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.86 . . . . 1.8100000000000001 108.785 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.76 120.04 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.516 -0.74 . . . . 0.41999999999999998 110.12 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.18 37.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.401 -0.812 . . . . 2.3500000000000001 110.274 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.1 126.18 2.12 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.562 -1.015 . . . . 0.40999999999999998 110.562 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -66.83 -40.08 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 2.5899999999999999 109.278 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.74 91.76 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.6 -0.889 . . . . 2.54 108.6 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.06 -42.48 94.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.823 -0.806 . . . . 3.3900000000000001 108.823 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.01 -49.94 75.68 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.251 -0.906 . . . . 0.46999999999999997 109.132 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -42.03 93.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.128 -0.982 . . . . 1.6599999999999999 108.368 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.6 ttp -62.72 -50.09 72.47 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.478 -0.764 . . . . 0.60999999999999999 109.574 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.03 -40.81 98.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.33000000000000002 109.238 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -59.32 -44.03 92.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.301 -0.874 . . . . 3.2799999999999998 109.033 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.35 86.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.407 -0.808 . . . . 1.78 109.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.33 -42.13 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.38 109.508 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 1.2 109.103 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.36 -40.05 95.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.469 -0.77 . . . . 2.1200000000000001 109.669 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.93 -49.84 76.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.278 -0.889 . . . . 0.26000000000000001 109.423 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.28 -43.72 95.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 0.40000000000000002 109.104 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -41.62 92.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.136 -0.977 . . . . 2.0899999999999999 108.858 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.21 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.398 -0.814 . . . . 0.75 108.915 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.416 ' HZ2' ' HG3' ' D' ' 25' ' ' GLU . 36.5 ttmt -59.94 -38.9 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 2.1899999999999999 109.274 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.8 -39.96 82.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 1.3400000000000001 109.114 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.464 0 O-C-N 121.105 -0.997 . . . . 0.71999999999999997 108.573 179.279 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' D' ' 8' ' ' GLU . 39.5 mp0 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 121.363 0.602 . . . . 1.6699999999999999 109.385 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.06 143.58 26.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.60999999999999999 109.475 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -137.01 139.87 41.71 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.399 -0.813 . . . . 0.56000000000000005 109.544 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.74 152.98 21.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.42999999999999999 109.017 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.09 130.65 15.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.05 . . . . 0.34999999999999998 109.492 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.91 129.49 34.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 1.3700000000000001 108.676 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.98 119.99 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.404 -0.81 . . . . 0.47999999999999998 109.971 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.99 37.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.0800000000000001 110.162 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.24 125.67 1.79 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.654 -0.978 . . . . 0.40000000000000002 110.654 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -66.52 -40.02 88.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.415 -1.05 . . . . 2.6400000000000001 109.426 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -45.51 92.47 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 2.2200000000000002 108.475 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.404 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -60.43 -42.5 96.17 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.44 -0.787 . . . . 2.7400000000000002 108.928 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.97 -49.59 77.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.16 -0.963 . . . . 0.42999999999999999 109.119 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -42.34 93.56 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.414 -0.958 . . . . 1.6899999999999999 108.414 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -62.67 -49.93 73.19 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.547 -0.721 . . . . 0.42999999999999999 109.652 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.23 -40.72 98.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.27000000000000002 109.125 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.48 -43.87 93.18 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.247 -0.908 . . . . 2.4500000000000002 109.066 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HZ2' ' C' ' 33' ' ' LYS . 87.2 tt0 -60.07 -47.35 86.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.399 -0.813 . . . . 1.75 109.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -42.29 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.31 109.684 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.0 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.147 -0.971 . . . . 1.22 109.216 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.57 -39.97 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.506 -0.746 . . . . 1.73 109.647 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.58 -49.79 76.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.276 -0.89 . . . . 0.28000000000000003 109.333 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.28 -43.85 95.85 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.161 -0.962 . . . . 0.31 109.163 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.96 -41.96 93.06 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 1.9099999999999999 108.874 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.08 -49.07 79.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.304 -0.873 . . . . 0.42999999999999999 108.82 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.94 -39.11 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.459 -0.776 . . . . 1.5700000000000001 109.232 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.92 -40.0 83.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.391 -0.818 . . . . 1.4399999999999999 109.316 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.1 96.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.64000000000000001 108.357 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 108.887 -0.783 . . . . 1.21 108.887 179.261 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.541 -0.54 . . . . 1.7 109.541 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.28 147.57 30.08 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.441 -0.787 . . . . 0.60999999999999999 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -134.7 137.31 43.43 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 109.696 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -89.72 154.12 20.18 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.601 -0.889 . . . . 0.41999999999999998 108.601 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.12 132.99 18.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.925 -1.11 . . . . 0.35999999999999999 109.224 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.487 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.6 tt0 -84.23 128.8 34.8 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.272 -1.01 . . . . 1.3700000000000001 108.272 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.94 120.06 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.31 -0.869 . . . . 0.46999999999999997 109.468 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.09 148.52 36.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.492 -0.755 . . . . 2.1000000000000001 110.028 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.35 125.21 0.71 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.65 -0.98 . . . . 0.41999999999999998 110.65 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.74 -41.19 88.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -1.118 . . . . 2.6800000000000002 109.135 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.1 -42.06 93.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 2.2200000000000002 109.148 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.4 ttm180 -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.287 -0.883 . . . . 2.77 109.072 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.94 -49.5 77.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.437 -0.79 . . . . 0.42999999999999999 109.057 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.03 -40.89 90.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.6599999999999999 108.597 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.4 ttp -62.93 -49.26 75.47 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.423 -0.798 . . . . 0.44 108.993 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.51 -40.09 95.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.854 . . . . 0.28999999999999998 108.924 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.11 -44.6 91.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.293 -0.879 . . . . 2.4399999999999999 109.115 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.09 83.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.192 -0.943 . . . . 1.74 109.059 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.51 -44.64 96.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 0.29999999999999999 108.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.261 -0.899 . . . . 1.22 109.254 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.11 -41.06 96.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.206 -0.934 . . . . 1.72 109.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.1 -49.93 75.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.27000000000000002 109.658 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.8 -41.69 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.359 -0.838 . . . . 0.28999999999999998 109.525 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.04 -40.86 90.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -0.982 . . . . 1.9099999999999999 109.283 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.07 -48.85 79.99 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.266 -0.896 . . . . 0.40999999999999998 109.083 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.356 -0.84 . . . . 1.5600000000000001 109.422 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.56 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 99.2 m-20 -59.67 -39.17 83.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -0.789 . . . . 1.4299999999999999 109.593 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.74 86.76 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.274 -0.891 . . . . 0.66000000000000003 108.889 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.489 1.489 0 O-C-N 121.114 -0.991 . . . . 1.1799999999999999 109.523 179.608 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.523 -0.547 . . . . 1.6100000000000001 109.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . 0.441 ' CB ' HE21 ' D' ' 13' ' ' GLN . 95.7 m-85 -107.61 147.12 31.06 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.602 -0.686 . . . . 0.56999999999999995 109.174 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -134.65 137.28 43.48 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.263 -0.898 . . . . 0.53000000000000003 109.967 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -89.66 153.58 20.62 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.641 -0.874 . . . . 0.38 108.641 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.92 132.58 17.85 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.036 -1.04 . . . . 0.35999999999999999 109.515 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.408 HE21 ' CB ' ' D' ' 9' ' ' TYR . 63.0 tt0 -83.63 129.04 34.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 1.3600000000000001 108.509 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.02 120.0 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.41 -0.806 . . . . 0.48999999999999999 109.419 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.11 149.04 35.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.432 -0.792 . . . . 2.1000000000000001 110.008 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 125.41 0.65 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.65 -0.98 . . . . 0.44 110.65 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.75 -41.21 88.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -1.079 . . . . 2.7200000000000002 109.129 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 2.21 109.202 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.7 ttm180 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.331 -0.856 . . . . 2.79 108.972 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.93 -49.62 76.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.536 -0.728 . . . . 0.45000000000000001 109.05 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.91 -41.39 91.59 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 1.6799999999999999 108.34 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.105 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.27 -39.99 94.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.42 -0.8 . . . . 0.28000000000000003 108.979 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.11 -44.44 91.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 2.52 109.092 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.29 82.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.253 -0.904 . . . . 1.75 108.996 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.53 -44.42 97.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.188 -0.945 . . . . 0.31 109.054 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.239 -0.913 . . . . 1.21 109.032 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.95 -41.28 96.01 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.313 -0.867 . . . . 1.6899999999999999 109.453 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.95 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.27000000000000002 109.754 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.29999999999999999 109.509 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.2 -40.6 90.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.378 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.25 -48.88 79.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.343 -0.848 . . . . 0.40000000000000002 109.104 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.401 -0.812 . . . . 1.5900000000000001 109.356 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.5 m-20 -59.65 -39.07 83.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 1.4299999999999999 109.431 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.331 -0.855 . . . . 0.65000000000000002 109.173 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.1899999999999999 109.442 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.561 -0.533 . . . . 2.1099999999999999 109.561 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . 0.487 ' CB ' HE21 ' A' ' 13' ' ' GLN . 97.5 m-85 -107.26 147.26 30.43 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.432 -0.793 . . . . 0.64000000000000001 109.125 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.57 136.67 43.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.279 -0.888 . . . . 0.48999999999999999 109.929 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -89.37 153.75 20.61 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.653 -0.869 . . . . 0.46999999999999997 108.653 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.97 132.83 18.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.896 -1.127 . . . . 0.41999999999999998 109.335 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -83.85 128.94 34.9 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.308 -0.997 . . . . 1.8100000000000001 108.308 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -119.98 119.98 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.36 -0.838 . . . . 0.41999999999999998 109.544 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -77.39 148.81 35.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.394 -0.816 . . . . 2.3500000000000001 110.375 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.22 125.03 0.68 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.463 -1.055 . . . . 0.40999999999999998 110.463 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.49 -40.99 89.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -1.137 . . . . 2.5899999999999999 109.175 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.03 -42.43 94.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 2.54 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.56 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 41.7 ttm180 -60.73 -40.12 91.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.245 -0.91 . . . . 3.3900000000000001 108.952 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.97 -49.64 76.88 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.874 -0.787 . . . . 0.46999999999999997 108.874 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.98 -41.41 91.96 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.376 -0.972 . . . . 1.6599999999999999 108.376 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -62.17 -49.85 74.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.476 -0.765 . . . . 0.60999999999999999 109.042 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.2 -40.09 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.412 -0.805 . . . . 0.33000000000000002 109.005 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -58.74 -44.73 90.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.353 -0.842 . . . . 3.2799999999999998 109.203 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -48.05 83.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.255 -0.903 . . . . 1.78 109.048 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.38 109.032 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.98 -49.99 75.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 1.2 109.236 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.77 -41.1 94.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 2.1200000000000001 109.427 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.26000000000000001 109.859 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.74 -41.89 98.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.394 -0.816 . . . . 0.40000000000000002 109.464 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.02 -40.53 89.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.955 . . . . 2.0899999999999999 109.406 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.26 -48.93 79.65 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.88 . . . . 0.75 109.159 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -0.795 . . . . 2.1899999999999999 109.421 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 99.7 m-20 -59.74 -39.32 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.3400000000000001 109.471 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.43 0 O-C-N 121.166 -0.959 . . . . 0.71999999999999997 108.876 -179.805 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.633 -0.506 . . . . 1.6699999999999999 109.633 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . 0.408 ' CB ' HE21 ' B' ' 13' ' ' GLN . 97.0 m-85 -107.66 147.54 30.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.505 -0.747 . . . . 0.60999999999999999 109.123 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.97 136.17 42.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.329 -0.857 . . . . 0.56000000000000005 109.955 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.95 152.85 21.47 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.576 -0.898 . . . . 0.42999999999999999 108.576 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -147.16 133.07 19.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.933 -1.104 . . . . 0.34999999999999998 109.356 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . 0.441 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.9 tt0 -84.32 129.13 34.9 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.381 -0.97 . . . . 1.3700000000000001 108.381 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.04 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.393 -0.817 . . . . 0.47999999999999998 109.499 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -77.18 148.22 36.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.539 -0.726 . . . . 2.0800000000000001 110.131 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 124.82 0.7 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.561 -1.016 . . . . 0.40000000000000002 110.561 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.02 -41.49 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -1.164 . . . . 2.6400000000000001 109.159 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.01 -42.22 93.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.148 -0.97 . . . . 2.2200000000000002 109.15 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.517 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 41.7 ttm180 -60.78 -40.04 91.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.232 -0.917 . . . . 2.7400000000000002 108.933 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.93 -49.86 76.02 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.484 -0.76 . . . . 0.42999999999999999 109.079 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.87 -41.36 91.34 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.44 -0.948 . . . . 1.6899999999999999 108.44 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.96 -50.06 73.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.489 -0.757 . . . . 0.42999999999999999 108.961 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.02 -40.06 94.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.348 -0.845 . . . . 0.27000000000000002 109.023 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.02 -44.36 91.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.313 -0.867 . . . . 2.4500000000000002 109.11 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.0 -48.69 80.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.892 . . . . 1.75 109.058 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.03 -44.65 97.09 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.187 -0.945 . . . . 0.31 109.104 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.349 -0.844 . . . . 1.22 109.225 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.88 -41.1 95.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.301 -0.874 . . . . 1.73 109.329 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.28000000000000003 109.713 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.93 -41.76 98.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.31 109.502 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.1 -40.95 91.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.957 . . . . 1.9099999999999999 109.322 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.13 -48.86 79.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 109.099 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -60.0 -39.93 87.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.5700000000000001 109.466 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.511 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.6 m-20 -59.58 -39.1 83.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 1.4399999999999999 109.639 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.56 86.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.18 -0.95 . . . . 0.64000000000000001 109.003 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.141 -0.975 . . . . 1.21 109.451 179.758 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.366 -0.605 . . . . 1.7 109.366 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.0 140.05 38.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.774 . . . . 0.60999999999999999 109.806 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -134.39 139.89 45.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.57999999999999996 109.174 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 p -87.85 158.16 18.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.86 . . . . 0.41999999999999998 108.77 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.8 126.94 12.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.35999999999999999 109.413 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.01 34.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 1.3700000000000001 108.399 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 119.95 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.424 -0.797 . . . . 0.46999999999999997 109.393 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.33 149.49 33.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 2.1000000000000001 110.101 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 117.6 0.91 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.03 -1.228 . . . . 0.41999999999999998 110.03 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 46.4 ttt-85 -62.45 -41.57 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -1.1 . . . . 2.6800000000000002 109.514 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.12 -40.56 90.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 2.2200000000000002 109.774 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -63.44 -39.93 95.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 2.77 109.582 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.22 -49.69 76.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.42999999999999999 109.387 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 17' ' ' ARG . 98.8 mt-10 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.097 -1.002 . . . . 1.6599999999999999 108.779 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.2 ttp -62.93 -52.13 64.24 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.279 -0.888 . . . . 0.44 109.448 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.08 -42.35 99.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.271 -0.893 . . . . 0.28999999999999998 108.88 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.593 -0.891 . . . . 2.4399999999999999 108.593 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.08 -49.72 76.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -0.832 . . . . 1.74 108.852 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.4 -45.15 94.62 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.925 . . . . 0.29999999999999999 108.501 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.94 -49.88 75.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.798 . . . . 1.22 109.193 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -39.9 93.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.502 -0.749 . . . . 1.72 109.829 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.64 -46.52 86.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.232 -0.917 . . . . 0.27000000000000002 109.29 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.45 -41.21 98.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.104 -0.997 . . . . 0.28999999999999998 108.865 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.22 -42.9 96.18 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.26 -0.9 . . . . 1.9099999999999999 108.916 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.15 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.498 -0.751 . . . . 0.40999999999999998 109.437 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.4 -43.64 98.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 1.5600000000000001 109.297 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.47 -0.769 . . . . 1.4299999999999999 110.01 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -0.937 . . . . 0.66000000000000003 109.642 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.237 -0.915 . . . . 1.1799999999999999 109.907 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.49 -0.559 . . . . 1.6100000000000001 109.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.84 140.27 38.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.424 -0.798 . . . . 0.56999999999999995 109.88 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -134.77 139.28 45.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.431 -0.793 . . . . 0.53000000000000003 109.204 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.3 p -87.53 157.58 19.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 0.38 108.671 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 tp -147.45 126.84 13.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.955 -1.091 . . . . 0.35999999999999999 109.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.4 34.45 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.242 -1.021 . . . . 1.3600000000000001 108.242 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.06 120.09 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.48999999999999999 109.346 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.1 149.33 33.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.426 -0.796 . . . . 2.1000000000000001 109.928 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.97 117.33 0.95 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.134 -1.187 . . . . 0.44 110.134 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.44 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 45.3 ttt-85 -61.93 -42.29 98.94 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -1.175 . . . . 2.7200000000000002 109.684 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.12 -40.24 89.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.933 . . . . 2.21 109.726 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.6 ttm180 -63.65 -39.87 95.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.933 . . . . 2.79 109.664 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.13 -49.79 75.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.849 . . . . 0.45000000000000001 109.165 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.7 mt-10 -59.82 -40.76 89.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.071 -1.018 . . . . 1.6799999999999999 108.957 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 33.6 ttp -63.03 -51.46 66.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.42999999999999999 109.375 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -63.79 -42.71 97.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.28000000000000003 108.901 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.57 -43.43 93.6 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.28 -0.888 . . . . 2.52 108.645 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -49.51 77.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 1.75 108.822 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.0 -44.8 96.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.158 -0.963 . . . . 0.31 108.541 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.34 -49.96 75.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.815 . . . . 1.21 109.223 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.549 -0.719 . . . . 1.6899999999999999 109.629 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.2 -46.87 87.31 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.166 -0.959 . . . . 0.27000000000000002 109.409 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.75 -41.31 97.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 0.29999999999999999 108.755 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.69 94.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.9299999999999999 109.063 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.27 -50.08 75.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.40000000000000002 109.462 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.24 -43.95 98.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 1.5900000000000001 109.292 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.02 -40.19 88.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 1.4299999999999999 109.894 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.93 94.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 0.65000000000000002 109.636 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 1.1899999999999999 109.71 -179.666 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 109.356 -0.609 . . . . 2.1099999999999999 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.3 140.31 38.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.405 -0.809 . . . . 0.64000000000000001 109.779 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -134.84 139.0 44.72 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.353 -0.842 . . . . 0.48999999999999999 109.282 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -87.23 158.2 19.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.888 . . . . 0.46999999999999997 108.728 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 tp -147.79 127.54 13.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.102 -0.999 . . . . 0.41999999999999998 109.181 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -87.46 125.95 34.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.328 -0.99 . . . . 1.8100000000000001 108.328 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.93 119.96 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.392 -0.817 . . . . 0.41999999999999998 109.525 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -78.13 147.39 34.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 2.3500000000000001 110.29 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.36 118.24 1.23 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.834 -1.306 . . . . 0.40999999999999998 109.834 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.484 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 43.1 ttt-85 -63.21 -40.55 97.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -1.114 . . . . 2.5899999999999999 109.695 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.3 -40.43 94.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.174 -0.954 . . . . 2.54 109.559 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.36 -39.77 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 3.3900000000000001 109.508 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.37 -49.76 76.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.255 -0.903 . . . . 0.46999999999999997 109.114 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . 0.484 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 99.0 mt-10 -59.93 -40.72 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.939 -1.101 . . . . 1.6599999999999999 109.064 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.0 ttp -62.87 -51.06 68.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.60999999999999999 109.448 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.14 -42.69 96.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.28 -0.888 . . . . 0.33000000000000002 108.826 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.59 -43.07 93.8 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 108.732 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.6 77.03 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.362 -0.836 . . . . 1.78 108.794 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.66 -44.93 95.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 0.38 108.587 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.06 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.38 -0.825 . . . . 1.2 109.246 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.8 -39.97 93.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.411 -0.805 . . . . 2.1200000000000001 109.767 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.84 -46.81 86.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.189 -0.945 . . . . 0.26000000000000001 109.242 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.19 -41.39 98.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.071 -1.018 . . . . 0.40000000000000002 108.828 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.39 -42.65 96.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 2.0899999999999999 108.789 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.411 HD21 ' NE2' ' D' ' 36' ' ' GLN . 60.1 tp -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.498 -0.751 . . . . 0.75 109.508 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -61.48 -43.7 98.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 2.1899999999999999 109.389 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.03 -40.08 88.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 110.087 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.247 -0.908 . . . . 0.71999999999999997 109.578 -179.419 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.341 0.591 . . . . 1.6699999999999999 109.51 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.39 140.66 37.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.364 -0.835 . . . . 0.60999999999999999 109.902 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.85 139.83 45.35 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.405 -0.81 . . . . 0.56000000000000005 109.205 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -87.92 157.71 18.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 108.704 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.87 126.7 12.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.34999999999999998 109.373 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.54 126.36 34.41 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.347 -0.982 . . . . 1.3700000000000001 108.347 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.12 119.95 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.394 -0.816 . . . . 0.47999999999999998 109.446 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -77.87 149.94 34.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 2.0800000000000001 110.04 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 117.74 0.84 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.155 -1.178 . . . . 0.40000000000000002 110.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.489 ' NH1' ' OE2' ' D' ' 21' ' ' GLU . 46.0 ttt-85 -61.97 -42.2 98.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -1.102 . . . . 2.6400000000000001 109.667 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.03 -40.09 88.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.751 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -63.96 -39.29 93.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.288 -0.882 . . . . 2.7400000000000002 109.507 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.76 -49.73 76.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.414 -0.804 . . . . 0.42999999999999999 109.348 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.489 ' OE2' ' NH1' ' D' ' 17' ' ' ARG . 98.9 mt-10 -59.88 -40.28 88.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.056 -1.027 . . . . 1.6899999999999999 108.819 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 31.1 ttp -63.38 -52.41 61.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.227 -0.92 . . . . 0.42999999999999999 109.534 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -63.11 -42.32 99.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.27000000000000002 108.887 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.8 -43.24 94.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.231 -0.918 . . . . 2.4500000000000002 108.703 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.82 76.15 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.28 -0.888 . . . . 1.75 108.849 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -44.63 96.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.237 -0.914 . . . . 0.31 108.544 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.1 -49.97 75.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.442 -0.786 . . . . 1.22 109.231 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.58 -39.83 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 1.73 109.946 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.09 -46.61 87.86 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.217 -0.927 . . . . 0.28000000000000003 109.509 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.082 -1.011 . . . . 0.31 108.736 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.5 -42.67 96.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.344 -0.848 . . . . 1.9099999999999999 108.913 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.11 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.42999999999999999 109.568 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.4 -43.7 98.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 1.5700000000000001 109.229 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.425 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 94.3 m-20 -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 110.039 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.0 94.16 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.067 -1.021 . . . . 0.64000000000000001 109.739 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . 0.411 ' NE2' HD21 ' C' ' 32' ' ' LEU . 27.5 mt-30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 1.21 109.839 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.407 0.622 . . . . 1.7 110.133 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.409 -0.807 . . . . 0.60999999999999999 109.0 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.21 140.28 51.54 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 110.217 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -90.02 151.86 21.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.372 -0.83 . . . . 0.41999999999999998 108.858 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -146.68 134.05 20.72 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.027 -1.046 . . . . 0.35999999999999999 109.816 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.07 34.91 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.718 -0.845 . . . . 1.3700000000000001 108.718 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.1 121.3 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.472 -0.767 . . . . 0.46999999999999997 109.964 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.24 146.97 38.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.569 -0.707 . . . . 2.1000000000000001 110.394 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.58 125.32 0.62 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.671 -0.972 . . . . 0.41999999999999998 110.671 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -65.22 -43.02 92.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.357 -1.084 . . . . 2.6800000000000002 109.459 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.05 -40.06 88.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.037 . . . . 2.2200000000000002 109.616 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.3 ttm180 -61.33 -40.0 92.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.206 -0.934 . . . . 2.77 108.819 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.1 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.42999999999999999 109.541 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.56 -42.09 91.65 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 1.6599999999999999 108.896 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 43.2 ttp -62.89 -49.7 73.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.337 -0.852 . . . . 0.44 109.269 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.71 -39.97 90.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.28999999999999998 109.247 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -57.59 -47.04 83.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.207 -0.933 . . . . 2.4399999999999999 108.714 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -45.36 93.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.226 -0.921 . . . . 1.74 109.325 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.09 -43.33 98.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 0.29999999999999999 110.035 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -59.96 -49.98 75.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 1.22 109.409 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -62.24 -39.96 94.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.464 -0.773 . . . . 1.72 109.513 179.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.26 74.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.921 . . . . 0.27000000000000002 109.667 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.39 -43.05 98.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.28999999999999998 109.438 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' HH12 ' C' ' 19' ' ' ARG . 43.4 mt-10 -60.78 -40.07 91.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.95 . . . . 1.9099999999999999 109.438 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.44 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.322 -0.862 . . . . 0.40999999999999998 109.283 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.65 -49.53 76.16 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.34 -0.85 . . . . 1.5600000000000001 109.52 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.427 -0.796 . . . . 1.4299999999999999 109.838 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.4 66.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.999 . . . . 0.66000000000000003 109.675 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.4 mt-30 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 1.1799999999999999 109.484 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.439 0.637 . . . . 1.6100000000000001 110.05 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -96.74 145.21 26.01 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.362 -0.836 . . . . 0.56999999999999995 109.021 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.9 140.18 51.79 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 0.53000000000000003 110.255 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -89.92 151.9 21.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.405 -0.81 . . . . 0.38 108.883 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -146.54 133.8 20.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.958 -1.089 . . . . 0.35999999999999999 109.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -84.12 128.94 34.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.764 -0.828 . . . . 1.3600000000000001 108.764 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.05 121.12 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.398 -0.814 . . . . 0.48999999999999999 110.214 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.26 147.41 38.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.52 -0.737 . . . . 2.1000000000000001 110.353 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.47 124.8 0.58 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.69 -0.964 . . . . 0.44 110.69 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -64.6 -43.41 93.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -1.084 . . . . 2.7200000000000002 109.521 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -0.99 . . . . 2.21 109.639 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.06 92.27 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 2.79 108.941 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.91 -49.04 79.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.45000000000000001 109.605 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.94 -42.75 90.51 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.139 -0.976 . . . . 1.6799999999999999 108.892 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 43.2 ttp -62.27 -50.02 73.35 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.272 -0.892 . . . . 0.42999999999999999 109.433 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.19 -40.09 88.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.28000000000000003 109.199 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -58.08 -46.79 84.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.296 -0.877 . . . . 2.52 108.767 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.17 -45.33 93.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.203 -0.936 . . . . 1.75 109.186 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.38 -43.02 98.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.31 110.055 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -60.03 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.084 -1.01 . . . . 1.21 109.23 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.541 ' N ' ' OE1' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -62.23 -39.97 94.58 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.66 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.09 75.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.209 -0.932 . . . . 0.27000000000000002 109.689 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.48 -43.06 98.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.368 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' CG ' HH12 ' D' ' 19' ' ' ARG . 42.7 mt-10 -60.59 -40.23 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 1.9299999999999999 109.474 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.05 -49.95 75.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.309 -0.869 . . . . 0.40000000000000002 109.344 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.62 -49.43 76.6 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.403 -0.81 . . . . 1.5900000000000001 109.556 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.525 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.7 m-20 -60.01 -40.25 88.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.365 -0.834 . . . . 1.4299999999999999 110.045 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.84 68.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.116 -0.99 . . . . 0.65000000000000002 109.626 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.441 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.5 mt-30 . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 1.1899999999999999 109.655 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 121.381 0.61 . . . . 2.1099999999999999 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.83 146.79 24.58 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.438 -0.789 . . . . 0.64000000000000001 108.872 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.66 140.05 50.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.245 -0.909 . . . . 0.48999999999999999 110.079 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -89.81 151.8 21.6 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.875 -0.787 . . . . 0.46999999999999997 108.875 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.45 133.88 20.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.051 -1.031 . . . . 0.41999999999999998 109.738 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -83.86 129.35 34.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.655 -0.869 . . . . 1.8100000000000001 108.655 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.44 121.36 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.389 -0.82 . . . . 0.41999999999999998 110.044 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -76.57 147.53 37.61 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.537 -0.727 . . . . 2.3500000000000001 110.332 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.28 125.67 0.6 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.679 -0.968 . . . . 0.40999999999999998 110.679 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.5 -43.07 91.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -1.075 . . . . 2.5899999999999999 109.426 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.2 -40.11 88.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 2.54 109.602 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 40.8 ttm180 -61.09 -39.98 92.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.207 -0.933 . . . . 3.3900000000000001 108.978 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -60.1 -48.67 80.75 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.46999999999999997 109.62 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.22 -42.26 90.56 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.114 -0.991 . . . . 1.6599999999999999 108.946 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 44.8 ttp -62.95 -49.67 73.83 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.358 -0.839 . . . . 0.60999999999999999 109.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.5 -40.02 89.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.335 -0.853 . . . . 0.33000000000000002 109.091 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -58.09 -46.48 85.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.317 -0.865 . . . . 3.2799999999999998 108.809 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -45.57 92.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 1.78 109.263 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.19 -42.81 99.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.38 110.071 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -59.98 -50.06 75.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.017 -1.052 . . . . 1.2 109.318 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -62.26 -40.02 94.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 2.1200000000000001 109.545 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.485 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.54 -50.45 73.75 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.28 -0.888 . . . . 0.26000000000000001 109.724 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.153 -0.967 . . . . 0.40000000000000002 109.412 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.47 ' CG ' HH12 ' A' ' 19' ' ' ARG . 42.8 mt-10 -60.61 -40.26 91.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 2.0899999999999999 109.493 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.13 -49.99 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.75 109.334 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.65 -49.32 77.03 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.476 -0.765 . . . . 2.1899999999999999 109.582 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.2 m-20 -60.14 -40.51 90.08 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 1.3400000000000001 110.084 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 O-C-N 121.166 -0.959 . . . . 0.71999999999999997 109.622 -179.546 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.5 0.667 . . . . 1.6699999999999999 110.096 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.12 144.95 26.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 109.086 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.88 140.05 51.86 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.3 -0.875 . . . . 0.56000000000000005 110.258 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -89.84 152.17 21.4 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.92 -0.77 . . . . 0.42999999999999999 108.92 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -146.81 133.98 20.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.964 -1.085 . . . . 0.34999999999999998 109.829 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.06 34.91 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.632 -0.877 . . . . 1.3700000000000001 108.632 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.06 121.42 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.379 -0.825 . . . . 0.47999999999999998 110.216 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -76.33 147.66 37.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.518 -0.739 . . . . 2.0800000000000001 110.367 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.16 125.5 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.717 -0.953 . . . . 0.40000000000000002 110.717 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.3 -43.18 91.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -1.108 . . . . 2.6400000000000001 109.473 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.01 -40.17 88.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 109.725 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.525 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.0 92.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.156 -0.965 . . . . 2.7400000000000002 108.94 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.99 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.342 -0.848 . . . . 0.42999999999999999 109.437 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.09 -42.64 90.92 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.139 -0.975 . . . . 1.6899999999999999 108.846 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 44.7 ttp -62.72 -49.46 74.95 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.267 -0.895 . . . . 0.42999999999999999 109.351 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.7 -39.99 90.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.27000000000000002 109.164 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -58.12 -46.54 85.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.296 -0.877 . . . . 2.4500000000000002 108.774 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.14 -45.77 91.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.838 . . . . 1.75 109.333 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.26 -42.7 99.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.31 110.04 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.16 -49.92 75.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.034 -1.041 . . . . 1.22 109.351 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' D' ' 28' ' ' GLU . 0.3 OUTLIER -62.51 -39.98 95.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.49 -0.756 . . . . 1.73 109.467 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.485 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.71 -50.01 75.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.28000000000000003 109.665 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -42.48 97.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.195 -0.94 . . . . 0.31 109.457 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.24 -40.01 92.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.9099999999999999 109.415 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.07 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.42999999999999999 109.254 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.61 -49.52 76.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.451 -0.781 . . . . 1.5700000000000001 109.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.2 m-20 -60.01 -39.99 87.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.41 -0.806 . . . . 1.4399999999999999 110.007 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.14 67.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.949 . . . . 0.64000000000000001 109.527 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.312 -0.868 . . . . 1.21 109.591 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.328 0.585 . . . . 1.7 110.055 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -110.65 141.51 43.78 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 109.051 -0.722 . . . . 0.60999999999999999 109.051 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -133.48 139.55 46.73 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.938 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.8 p -89.0 155.4 19.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.36 -0.838 . . . . 0.41999999999999998 108.798 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -147.15 129.91 16.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.964 -1.085 . . . . 0.35999999999999999 109.534 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -83.03 128.37 34.41 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.749 -0.834 . . . . 1.3700000000000001 108.749 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.98 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.489 -0.757 . . . . 0.46999999999999997 109.603 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -75.73 147.42 39.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 2.1000000000000001 110.018 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.05 121.9 0.52 Allowed Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.346 -1.102 . . . . 0.41999999999999998 110.346 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 17' ' ' ARG . 34.5 ttt-85 -64.49 -40.83 96.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.112 . . . . 2.6800000000000002 109.605 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.76 -40.68 93.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 2.2200000000000002 109.141 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.28 -40.05 89.05 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.909 -0.775 . . . . 2.77 108.909 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.23 -49.22 78.69 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.41 -0.806 . . . . 0.42999999999999999 109.32 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.3 88.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.978 -1.076 . . . . 1.6599999999999999 108.639 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.85 -49.92 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 0.44 108.761 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.77 -40.02 96.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.673 -0.862 . . . . 0.28999999999999998 108.673 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 24' ' ' ARG . 22.3 ttt-85 -56.89 -46.59 81.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.418 -0.801 . . . . 2.4399999999999999 109.041 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.95 -47.99 83.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.296 -0.878 . . . . 1.74 108.891 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.98 -45.9 91.59 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.305 -0.872 . . . . 0.29999999999999999 108.929 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.92 -50.1 75.1 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.301 -0.875 . . . . 1.22 109.635 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.34 -39.94 94.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 1.72 109.549 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.29 82.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.186 -0.946 . . . . 0.27000000000000002 109.336 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.124 -0.985 . . . . 0.28999999999999998 109.24 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -41.69 93.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 1.9099999999999999 109.232 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.28 -44.15 97.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.326 -0.991 . . . . 0.40999999999999998 108.326 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HZ1' ' CD ' ' B' ' 28' ' ' GLU . 20.0 ttmm -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.031 -0.729 . . . . 1.5600000000000001 109.031 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.0 -39.96 87.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.104 -0.997 . . . . 1.4299999999999999 108.991 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.93 93.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.332 -0.855 . . . . 0.66000000000000003 108.946 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.408 HE22 HD13 ' B' ' 32' ' ' LEU . 7.2 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.343 -0.848 . . . . 1.1799999999999999 109.57 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.424 0.63 . . . . 1.6100000000000001 109.92 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -110.68 141.99 43.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.6 -0.688 . . . . 0.56999999999999995 109.204 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.28 139.08 45.47 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.243 -0.91 . . . . 0.53000000000000003 109.997 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -89.3 154.98 19.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.882 . . . . 0.38 108.658 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.8 tp -146.66 130.28 16.93 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.053 -1.029 . . . . 0.35999999999999999 109.606 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.19 128.35 34.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 108.84 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 119.99 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.414 -0.804 . . . . 0.48999999999999999 109.807 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.56 147.01 40.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.449 -0.782 . . . . 2.1000000000000001 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.31 122.36 0.57 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.218 -1.153 . . . . 0.44 110.218 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 33.4 ttt-85 -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -1.123 . . . . 2.7200000000000002 109.41 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.53 -41.49 94.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 2.21 109.144 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.898 -0.778 . . . . 2.79 108.898 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.34 -49.48 77.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.395 -0.816 . . . . 0.45000000000000001 109.386 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.423 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.9 mt-10 -59.79 -40.26 87.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.949 -1.094 . . . . 1.6799999999999999 108.62 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -60.61 -50.02 75.21 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.381 -0.825 . . . . 0.42999999999999999 108.873 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.68 -40.05 95.88 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.621 -0.881 . . . . 0.28000000000000003 108.621 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.444 HH11 ' HG2' ' B' ' 24' ' ' ARG . 23.3 ttt-85 -56.7 -46.59 81.13 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.438 -0.789 . . . . 2.52 109.051 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.02 -48.02 83.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.26 -0.9 . . . . 1.75 108.833 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.24 -45.54 92.88 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.262 -0.899 . . . . 0.31 108.934 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 -50.29 74.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.347 -0.846 . . . . 1.21 109.64 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.586 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 86.0 tt0 -62.27 -40.0 94.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 109.493 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.78 80.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.27000000000000002 109.387 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.59 -41.47 98.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.29999999999999999 109.244 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.09 -41.68 93.01 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.092 -1.005 . . . . 1.9299999999999999 109.217 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.408 HD13 HE22 ' A' ' 36' ' ' GLN . 55.8 tp -61.46 -44.15 97.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.24 -1.022 . . . . 0.40000000000000002 108.24 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -59.99 -39.91 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.541 -0.724 . . . . 1.5900000000000001 109.074 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.9 . . . . 1.4299999999999999 108.892 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.02 94.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.009 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.1899999999999999 109.54 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.362 0.601 . . . . 2.1099999999999999 109.942 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -110.96 141.68 44.07 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.02 -0.733 . . . . 0.64000000000000001 109.02 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.61 139.71 46.68 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.258 -0.901 . . . . 0.48999999999999999 109.975 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 60.7 p -89.24 155.44 19.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.643 -0.873 . . . . 0.46999999999999997 108.643 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.47 129.49 15.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.036 -1.04 . . . . 0.41999999999999998 109.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.5 128.58 34.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 1.8100000000000001 108.795 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.02 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.365 -0.835 . . . . 0.41999999999999998 109.66 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -75.77 147.25 39.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.39 -0.818 . . . . 2.3500000000000001 110.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 122.43 0.58 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.235 -1.146 . . . . 0.40999999999999998 110.235 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 34.5 ttt-85 -64.68 -41.08 96.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.342 -1.093 . . . . 2.5899999999999999 109.643 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.76 -40.97 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 2.54 109.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.95 -40.12 87.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.451 -0.781 . . . . 3.3900000000000001 108.912 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.32 -49.19 78.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.46999999999999997 109.353 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 98.9 mt-10 -59.95 -40.22 88.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.065 . . . . 1.6599999999999999 108.6 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.4 ttp -60.82 -49.98 75.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.439 -0.788 . . . . 0.60999999999999999 109.058 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.02 -40.02 96.5 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.574 -0.899 . . . . 0.33000000000000002 108.574 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' C' ' 24' ' ' ARG . 21.7 ttt-85 -56.84 -46.57 81.62 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.479 -0.763 . . . . 3.2799999999999998 109.029 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.02 -48.23 82.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 1.78 108.792 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.81 -45.89 91.87 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.213 -0.93 . . . . 0.38 109.043 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.98 -50.36 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.2 109.532 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.656 ' CD ' ' HZ1' ' D' ' 33' ' ' LYS . 85.8 tt0 -61.9 -40.03 94.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.915 . . . . 2.1200000000000001 109.5 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.75 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.301 -0.875 . . . . 0.26000000000000001 109.392 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.27 -41.77 98.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.113 -0.992 . . . . 0.40000000000000002 109.137 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -41.81 93.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 2.0899999999999999 109.294 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.526 HD13 HE22 ' D' ' 36' ' ' GLN . 56.6 tp -61.35 -43.95 98.01 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.265 -1.013 . . . . 0.75 108.265 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.547 ' HZ1' ' CD ' ' D' ' 28' ' ' GLU . 19.8 ttmm -60.14 -39.99 88.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.552 -0.718 . . . . 2.1899999999999999 109.09 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.206 -0.934 . . . . 1.3400000000000001 108.979 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.46 0 O-C-N 121.364 -0.835 . . . . 0.71999999999999997 108.886 179.401 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.325 0.583 . . . . 1.6699999999999999 109.91 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -110.98 141.93 43.77 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.175 -0.676 . . . . 0.60999999999999999 109.175 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -133.88 139.06 45.96 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.263 -0.898 . . . . 0.56000000000000005 109.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.99 154.93 19.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 108.666 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -146.47 130.28 17.12 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.032 -1.042 . . . . 0.34999999999999998 109.46 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -83.3 128.28 34.37 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.577 -0.898 . . . . 1.3700000000000001 108.577 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -120.03 120.02 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.41 -0.806 . . . . 0.47999999999999998 109.791 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.9 147.14 39.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.514 -0.742 . . . . 2.0800000000000001 110.012 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.48 122.09 0.58 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.281 -1.128 . . . . 0.40000000000000002 110.281 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' D' ' 17' ' ' ARG . 35.0 ttt-85 -64.44 -41.23 96.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -1.103 . . . . 2.6400000000000001 109.421 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.57 -40.95 93.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.13 -0.981 . . . . 2.2200000000000002 109.156 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.05 -40.12 88.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.841 . . . . 2.7400000000000002 109.025 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.07 -48.97 79.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.42999999999999999 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.99 -40.57 89.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.909 -1.119 . . . . 1.6899999999999999 108.75 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -60.8 -50.14 74.67 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.374 -0.829 . . . . 0.42999999999999999 108.918 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.75 -39.94 95.7 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.634 -0.876 . . . . 0.27000000000000002 108.634 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . 0.459 HH11 ' HG2' ' D' ' 24' ' ' ARG . 22.9 ttt-85 -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.473 -0.767 . . . . 2.4500000000000002 109.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -47.98 83.64 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.859 . . . . 1.75 108.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.0 -45.77 92.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.155 -0.966 . . . . 0.31 108.865 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.01 -50.33 74.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.358 -0.839 . . . . 1.22 109.617 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . 0.547 ' CD ' ' HZ1' ' C' ' 33' ' ' LYS . 85.9 tt0 -62.03 -40.02 94.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 1.73 109.429 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.83 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.187 -0.946 . . . . 0.28000000000000003 109.363 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.95 -42.11 98.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.985 . . . . 0.31 109.157 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -41.16 92.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 1.9099999999999999 109.34 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -43.98 97.74 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.207 -1.034 . . . . 0.42999999999999999 108.207 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . 0.656 ' HZ1' ' CD ' ' C' ' 28' ' ' GLU . 19.7 ttmm -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.049 -0.723 . . . . 1.5700000000000001 109.049 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.08 -39.88 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.053 -1.03 . . . . 1.4399999999999999 108.979 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.99 94.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.64000000000000001 108.871 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . 0.526 HE22 HD13 ' C' ' 32' ' ' LEU . 7.3 tt0 . . . . . 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 1.21 109.473 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 121.561 0.696 . . . . 1.7 109.89 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -103.04 140.38 37.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 0.60999999999999999 109.461 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.42 139.2 50.6 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.435 -0.791 . . . . 0.57999999999999996 109.49 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.0 p -88.63 156.34 19.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.376 -0.827 . . . . 0.41999999999999998 108.795 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.95 129.96 15.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.922 . . . . 0.35999999999999999 109.081 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -84.49 129.0 34.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 1.3700000000000001 109.097 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.83 119.96 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.486 -0.759 . . . . 0.46999999999999997 109.434 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -77.59 149.69 34.79 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.17 -0.956 . . . . 2.1000000000000001 110.219 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.66 124.47 0.47 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 110.37 -1.092 . . . . 0.41999999999999998 110.37 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.87 -40.06 91.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -1.072 . . . . 2.6800000000000002 109.552 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.96 -42.41 94.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.199 -0.938 . . . . 2.2200000000000002 108.766 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.65 -40.91 98.52 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 2.77 108.573 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 109.64 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.055 -1.028 . . . . 1.6599999999999999 108.293 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.7 ttp -61.55 -49.92 74.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.44 109.54 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.09 -40.09 94.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.28999999999999998 109.672 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 28.4 ttm-85 -59.2 -41.2 87.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.023 -1.048 . . . . 2.4399999999999999 108.932 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.93 -49.21 78.59 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.44 -48.52 80.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.29999999999999999 108.665 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.498 -0.751 . . . . 1.22 108.982 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.502 ' HB3' ' HZ1' ' B' ' 33' ' ' LYS . 88.3 tt0 -60.05 -41.42 92.27 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 1.72 109.107 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.01 -49.45 77.61 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 109.335 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.15 -43.07 99.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -0.985 . . . . 0.28999999999999998 109.251 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -40.15 90.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.252 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.01 -49.49 77.46 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.454 -0.943 . . . . 0.40999999999999998 108.454 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.02 -39.92 87.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.451 -0.78 . . . . 1.5600000000000001 109.151 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.365 -0.835 . . . . 1.4299999999999999 109.425 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.0 94.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.427 -0.796 . . . . 0.66000000000000003 109.746 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.585 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 78.1 mt-30 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.095 -1.003 . . . . 1.1799999999999999 109.733 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.422 0.63 . . . . 1.6100000000000001 109.942 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.1 141.22 35.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.473 -0.767 . . . . 0.56999999999999995 109.496 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -131.3 138.2 49.15 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.45 -0.781 . . . . 0.53000000000000003 109.648 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -88.1 155.09 19.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.38 109.133 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -146.84 129.91 16.42 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.35999999999999999 109.155 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.31 128.46 34.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.3600000000000001 109.093 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.37 120.0 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.418 -0.801 . . . . 0.48999999999999999 109.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -77.37 149.67 35.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 2.1000000000000001 110.086 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.46 126.37 0.54 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.211 -1.156 . . . . 0.44 110.211 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -67.57 -39.92 84.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.475 -1.015 . . . . 2.7200000000000002 109.45 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.04 -42.51 94.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.19 -0.943 . . . . 2.21 108.796 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.44 -40.72 97.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.253 -0.904 . . . . 2.79 108.621 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.08 -49.87 75.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.445 -0.785 . . . . 0.45000000000000001 109.64 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.6 -49.6 75.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.614 -0.679 . . . . 0.42999999999999999 109.412 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.09 -40.42 95.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.473 -0.767 . . . . 0.28000000000000003 109.504 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 24' ' ' ARG . 27.7 ttm-85 -59.29 -41.22 88.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.068 -1.02 . . . . 2.52 109.046 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -49.28 78.26 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.501 -0.926 . . . . 1.75 108.501 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.29 -48.51 81.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.31 108.738 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.02 -48.52 81.37 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.835 -0.802 . . . . 1.21 108.835 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -41.32 91.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.407 -0.808 . . . . 1.6899999999999999 109.202 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.96 -49.02 79.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.27000000000000002 109.44 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.56 -42.71 99.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 0.29999999999999999 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.99 -40.06 92.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 1.9299999999999999 108.998 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.98 -49.76 76.4 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.521 -0.918 . . . . 0.40000000000000002 108.521 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' A' ' 28' ' ' GLU . 35.2 ttmt -60.0 -40.0 87.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.549 -0.72 . . . . 1.5900000000000001 109.066 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.389 -0.819 . . . . 1.4299999999999999 109.477 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.22 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.807 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.585 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 78.2 mt-30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.1899999999999999 109.798 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.385 0.612 . . . . 2.1099999999999999 109.956 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.91 141.2 36.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.676 -0.64 . . . . 0.64000000000000001 109.47 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -131.04 138.58 49.68 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.447 -0.783 . . . . 0.48999999999999999 109.656 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 44.5 p -88.39 155.97 19.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.307 -0.871 . . . . 0.46999999999999997 109.108 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -147.68 129.98 15.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.181 -0.949 . . . . 0.41999999999999998 109.227 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.81 129.05 34.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 1.8100000000000001 109.004 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.7 119.99 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.519 -0.738 . . . . 0.41999999999999998 109.335 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -77.46 149.95 35.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.3500000000000001 109.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.27 125.99 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.515 -1.034 . . . . 0.40999999999999998 110.515 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.13 -40.0 86.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -1.03 . . . . 2.5899999999999999 109.302 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.05 -43.1 95.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.009 . . . . 2.54 108.919 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.8 -40.97 97.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 3.3900000000000001 108.84 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.01 -50.01 75.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.46999999999999997 109.487 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -40.42 89.58 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.17 -1.048 . . . . 1.6599999999999999 108.17 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.5 ttp -61.46 -49.98 74.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.694 -0.629 . . . . 0.60999999999999999 109.445 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.72 -40.12 93.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.476 -0.765 . . . . 0.33000000000000002 109.671 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -59.31 -41.11 88.25 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.931 -1.105 . . . . 3.2799999999999998 109.053 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.81 80.17 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 1.78 108.504 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.38 108.605 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.06 -48.83 80.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 1.2 108.852 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.02 -41.29 91.86 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.379 -0.825 . . . . 2.1200000000000001 109.057 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.679 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.283 -0.885 . . . . 0.26000000000000001 109.363 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -42.66 99.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 0.40000000000000002 109.306 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.83 -40.24 92.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 2.0899999999999999 109.236 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.623 HD11 HE22 ' D' ' 36' ' ' GLN . 63.7 tp -60.01 -49.66 76.78 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.497 -0.927 . . . . 0.75 108.497 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.677 ' HZ1' ' HB3' ' D' ' 28' ' ' GLU . 34.8 ttmt -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.474 -0.766 . . . . 2.1899999999999999 109.084 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.96 -39.99 87.51 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.357 -0.839 . . . . 1.3400000000000001 109.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.294 -0.878 . . . . 0.71999999999999997 109.925 -179.601 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.362 0.601 . . . . 1.6699999999999999 109.875 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.98 140.81 36.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.582 -0.699 . . . . 0.60999999999999999 109.353 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.22 139.6 50.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.515 -0.741 . . . . 0.56000000000000005 109.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -88.96 155.91 19.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 108.942 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -147.64 129.8 15.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.11 -0.994 . . . . 0.34999999999999998 109.073 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.58 128.71 34.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.3700000000000001 108.995 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.73 120.0 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.406 -0.809 . . . . 0.47999999999999998 109.28 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -77.16 149.87 35.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 2.0800000000000001 110.035 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.99 125.21 0.43 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.469 -1.052 . . . . 0.40000000000000002 110.469 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -66.33 -40.04 89.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.435 -1.038 . . . . 2.6400000000000001 109.577 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.18 93.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.053 -1.029 . . . . 2.2200000000000002 108.928 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.59 -40.87 98.3 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.676 -0.861 . . . . 2.7400000000000002 108.676 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -59.96 -50.08 75.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.599 -0.688 . . . . 0.42999999999999999 109.597 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.29 88.57 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.02 -1.104 . . . . 1.6899999999999999 108.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 60.5 ttp -61.16 -49.95 75.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.41 0.624 . . . . 0.42999999999999999 109.622 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.05 -40.33 95.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.453 -0.779 . . . . 0.27000000000000002 109.565 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' D' ' 24' ' ' ARG . 29.3 ttm-85 -59.37 -41.12 88.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.096 -1.002 . . . . 2.4500000000000002 109.031 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -48.79 80.25 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.386 -0.968 . . . . 1.75 108.386 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.95 -48.5 80.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.31 108.788 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.97 -48.47 81.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.46 -0.775 . . . . 1.22 108.926 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . 0.677 ' HB3' ' HZ1' ' C' ' 33' ' ' LYS . 88.4 tt0 -59.98 -41.46 92.06 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.393 -0.817 . . . . 1.73 109.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.679 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.0 -50.01 75.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -0.846 . . . . 0.28000000000000003 109.299 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.73 -42.66 97.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.326 -0.859 . . . . 0.31 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.03 -40.15 92.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 109.032 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.3 tp -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.599 -0.889 . . . . 0.42999999999999999 108.599 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.01 -40.03 87.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.466 -0.771 . . . . 1.5700000000000001 109.179 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -39.98 87.87 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.411 -0.805 . . . . 1.4399999999999999 109.421 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.0 93.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.805 . . . . 0.64000000000000001 109.78 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . 0.623 HE22 HD11 ' C' ' 32' ' ' LEU . 78.4 mt-30 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.041 -1.037 . . . . 1.21 109.667 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.551 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 52.5 mp0 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.116 -0.698 . . . . 1.7 109.116 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -96.34 141.62 29.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.362 -0.836 . . . . 0.60999999999999999 109.773 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.69 142.63 48.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.48 -0.762 . . . . 0.57999999999999996 109.636 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.3 p -90.13 154.87 19.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.247 -0.908 . . . . 0.41999999999999998 109.029 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -148.5 132.52 17.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.084 -1.01 . . . . 0.35999999999999999 109.657 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.18 127.52 34.3 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.249 -0.907 . . . . 1.3700000000000001 108.976 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.38 120.06 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.333 -0.855 . . . . 0.46999999999999997 109.803 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -77.32 148.99 35.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.349 -0.844 . . . . 2.1000000000000001 110.028 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.9 115.97 0.35 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.234 -1.147 . . . . 0.41999999999999998 110.234 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -60.95 -41.51 96.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -1.085 . . . . 2.6800000000000002 109.367 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.061 . . . . 2.2200000000000002 108.832 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.502 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.7 ttm180 -62.47 -40.06 95.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.589 -0.893 . . . . 2.77 108.589 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.04 -49.76 76.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.28 -0.888 . . . . 0.42999999999999999 109.075 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.83 -40.49 88.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.19 -0.944 . . . . 1.6599999999999999 108.532 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 24.5 ttp -63.27 -49.98 71.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.434 -0.791 . . . . 0.44 109.074 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.19 -40.34 97.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.347 -0.846 . . . . 0.28999999999999998 109.193 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.8 -44.13 94.11 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.106 -0.996 . . . . 2.4399999999999999 108.833 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.03 87.51 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.311 -0.868 . . . . 1.74 108.993 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.32 -43.6 97.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.197 -0.939 . . . . 0.29999999999999999 109.119 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.348 -0.845 . . . . 1.22 109.497 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -39.94 95.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.51 -0.744 . . . . 1.72 109.624 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.675 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.73 -49.06 79.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.27000000000000002 109.618 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.57 -43.48 97.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.28999999999999998 109.112 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -40.0 89.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.866 . . . . 1.9099999999999999 109.269 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 HD22 ' B' ' 32' ' ' LEU . 4.0 tt -63.02 -52.95 60.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.103 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.03 -42.95 95.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.08 -1.013 . . . . 1.5600000000000001 109.423 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 96.1 m-20 -60.1 -39.93 87.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.345 -0.847 . . . . 1.4299999999999999 109.2 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.42 94.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.66000000000000003 109.349 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 1.1799999999999999 109.277 179.639 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 54.1 mp0 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.155 -0.683 . . . . 1.6100000000000001 109.155 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.8 141.56 29.86 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.293 -0.879 . . . . 0.56999999999999995 109.885 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -133.51 142.82 48.4 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.338 -0.852 . . . . 0.53000000000000003 109.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.38 156.07 18.93 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 0.38 108.967 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -149.66 131.91 15.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.004 -1.06 . . . . 0.35999999999999999 109.625 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.75 127.25 34.02 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.262 -0.898 . . . . 1.3600000000000001 108.93 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.02 120.07 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.35 -0.844 . . . . 0.48999999999999999 109.849 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -77.46 148.93 35.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.28 -0.888 . . . . 2.1000000000000001 110.15 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 116.13 0.32 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.344 -1.103 . . . . 0.44 110.344 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.64 -41.32 94.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.393 -1.063 . . . . 2.7200000000000002 109.693 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.04 -40.38 89.2 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.033 -1.042 . . . . 2.21 108.799 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.8 ttm180 -62.66 -39.93 95.47 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.631 -0.877 . . . . 2.79 108.631 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.99 -49.67 76.76 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.894 -0.78 . . . . 0.45000000000000001 108.894 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -41.53 90.99 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 ttp -62.32 -50.3 72.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.363 -0.836 . . . . 0.42999999999999999 109.16 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.97 -41.04 99.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.509 -0.744 . . . . 0.28000000000000003 109.116 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.32 -44.04 92.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.177 -0.952 . . . . 2.52 108.968 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -47.74 84.58 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 1.75 108.825 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.87 -43.21 99.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.31 109.083 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -50.03 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.28 -0.888 . . . . 1.21 109.243 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -39.95 95.67 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.585 -0.697 . . . . 1.6899999999999999 109.584 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.675 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.02 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.903 . . . . 0.27000000000000002 109.562 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.69 -43.62 97.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.973 -1.079 . . . . 0.29999999999999999 109.152 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -39.94 89.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 1.9299999999999999 109.468 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.624 HD22 HD22 ' A' ' 32' ' ' LEU . 4.0 tt -62.56 -53.25 57.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 0.40000000000000002 109.144 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.13 -42.77 95.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 1.5900000000000001 109.391 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.532 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 1.4299999999999999 109.232 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.52 96.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.338 -0.852 . . . . 0.65000000000000002 109.318 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.861 . . . . 1.1899999999999999 109.471 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' C' ' 8' ' ' GLU . 55.3 mp0 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.132 -0.692 . . . . 2.1099999999999999 109.132 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.55 140.55 31.02 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.299 -0.876 . . . . 0.64000000000000001 109.978 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.64 142.06 48.92 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.516 -0.74 . . . . 0.48999999999999999 109.617 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 63.7 p -89.19 153.95 20.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 0.46999999999999997 108.965 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -147.77 132.54 17.96 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.953 -1.092 . . . . 0.41999999999999998 109.598 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.06 127.69 34.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.23 -0.919 . . . . 1.8100000000000001 108.984 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.55 119.96 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.355 -0.84 . . . . 0.41999999999999998 109.771 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -77.62 149.5 34.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.26 -0.9 . . . . 2.3500000000000001 110.096 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 116.08 0.32 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.226 -1.15 . . . . 0.40999999999999998 110.226 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -61.24 -41.31 96.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -1.097 . . . . 2.5899999999999999 109.427 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.91 -40.22 88.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.068 -1.02 . . . . 2.54 108.757 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 44.0 ttm180 -62.7 -39.96 95.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.232 -0.918 . . . . 3.3900000000000001 108.734 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.01 -49.66 76.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.46999999999999997 109.114 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.9 -41.07 90.83 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.296 -1.001 . . . . 1.6599999999999999 108.296 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.3 -50.06 73.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.359 -0.838 . . . . 0.60999999999999999 109.122 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.26 -41.18 99.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.33000000000000002 109.091 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -59.32 -43.84 92.64 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.224 -0.922 . . . . 3.2799999999999998 108.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.96 -47.81 84.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.303 -0.873 . . . . 1.78 108.826 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.68 -43.55 98.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.38 109.12 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.13 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.332 -0.855 . . . . 1.2 109.457 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.49 -40.04 95.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.553 -0.717 . . . . 2.1200000000000001 109.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.707 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.42 -49.57 76.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 0.26000000000000001 109.718 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.19 -43.83 95.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.40000000000000002 108.936 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.29 -40.43 90.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.0899999999999999 109.442 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.609 HD22 HD22 ' D' ' 32' ' ' LEU . 4.0 tt -62.52 -53.07 60.24 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.489 -0.757 . . . . 0.75 108.999 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.01 -42.94 95.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 2.1899999999999999 109.402 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.502 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 95.3 m-20 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 1.3400000000000001 109.405 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.71999999999999997 109.266 -179.77 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 53.7 mp0 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.15 -0.685 . . . . 1.6699999999999999 109.15 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.6 141.62 29.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.327 -0.858 . . . . 0.60999999999999999 109.974 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.61 142.52 48.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.509 -0.745 . . . . 0.56000000000000005 109.61 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 64.9 p -89.72 154.29 20.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.29 -0.881 . . . . 0.42999999999999999 108.96 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -148.01 132.37 17.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.05 . . . . 0.34999999999999998 109.685 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.93 127.81 34.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 108.921 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.61 120.1 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.362 -0.837 . . . . 0.47999999999999998 109.907 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -77.69 149.44 34.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.0800000000000001 110.139 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 116.2 0.32 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.262 -1.135 . . . . 0.40000000000000002 110.262 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.08 -41.15 96.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -1.105 . . . . 2.6400000000000001 109.608 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.06 -40.22 88.73 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.935 -1.103 . . . . 2.2200000000000002 108.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.532 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.9 ttm180 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.676 -0.861 . . . . 2.7400000000000002 108.676 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.09 -49.7 76.6 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.43 -0.793 . . . . 0.42999999999999999 109.088 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.0 -40.63 89.85 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.371 -0.974 . . . . 1.6899999999999999 108.371 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 25.5 ttp -62.98 -49.96 72.63 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.414 -0.804 . . . . 0.42999999999999999 108.966 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -40.87 98.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.43 -0.794 . . . . 0.27000000000000002 109.101 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -59.3 -44.24 92.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.069 -1.019 . . . . 2.4500000000000002 108.989 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -47.29 86.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.284 -0.885 . . . . 1.75 108.951 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.29 -43.32 98.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.211 -0.93 . . . . 0.31 109.016 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -50.05 75.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.865 . . . . 1.22 109.32 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.0 95.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.54 -0.725 . . . . 1.73 109.631 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.707 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.79 -48.88 79.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 0.28000000000000003 109.591 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.85 -42.61 98.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.092 -1.005 . . . . 0.31 109.067 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.36 -40.08 92.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.292 -0.88 . . . . 1.9099999999999999 109.191 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . 0.609 HD22 HD22 ' C' ' 32' ' ' LEU . 4.0 tt -62.74 -52.37 63.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.461 -0.774 . . . . 0.42999999999999999 109.127 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.49 -43.13 97.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 1.5700000000000001 109.445 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.1 m-20 -60.02 -40.11 88.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 1.4399999999999999 109.478 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.18 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.319 -0.863 . . . . 0.64000000000000001 109.35 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.21 109.382 179.824 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.395 0.617 . . . . 1.7 110.246 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -107.93 146.95 31.7 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.88 -0.785 . . . . 0.60999999999999999 108.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.11 137.2 42.58 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.209 -0.932 . . . . 0.57999999999999996 109.455 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -87.85 153.93 20.94 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.869 -0.789 . . . . 0.41999999999999998 108.869 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 tp -145.66 133.09 20.72 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.028 -1.045 . . . . 0.35999999999999999 109.53 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -83.63 127.32 33.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.843 . . . . 1.3700000000000001 108.985 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.19 119.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.417 -0.802 . . . . 0.46999999999999997 109.524 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -77.51 143.33 38.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.382 -0.824 . . . . 2.1000000000000001 110.232 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.28 124.6 1.38 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.204 -1.159 . . . . 0.41999999999999998 110.204 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -67.48 -40.1 85.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -1.125 . . . . 2.6800000000000002 109.448 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.15 93.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 2.2200000000000002 108.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.08 -39.91 94.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.385 -0.822 . . . . 2.77 109.112 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.88 -49.99 75.53 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.286 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.122 -1.066 . . . . 1.6599999999999999 108.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 53.4 ttp -61.25 -50.72 71.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.48 -0.763 . . . . 0.44 109.55 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.7 -40.18 94.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.435 -0.791 . . . . 0.28999999999999998 109.135 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.37 -45.3 91.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.852 . . . . 2.4399999999999999 108.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.04 -48.5 81.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.727 -0.842 . . . . 1.74 108.727 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.87 -45.11 95.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.201 -0.937 . . . . 0.29999999999999999 108.767 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -60.05 -49.8 76.21 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.329 -0.857 . . . . 1.22 109.065 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.37 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.385 -0.822 . . . . 1.72 109.505 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.6 -49.32 78.2 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.27000000000000002 109.473 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.77 -41.46 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.133 -0.98 . . . . 0.28999999999999998 109.285 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.31 -43.35 96.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -0.992 . . . . 1.9099999999999999 108.886 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 0.40999999999999998 108.863 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -60.24 -39.84 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.54 -0.725 . . . . 1.5600000000000001 109.134 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.96 -39.96 87.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 1.4299999999999999 109.647 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.38 93.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.971 . . . . 0.66000000000000003 109.659 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 121.038 -1.039 . . . . 1.1799999999999999 109.553 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.213 0.53 . . . . 1.6100000000000001 110.3 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.49 146.74 31.4 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.56999999999999995 108.954 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -134.75 137.08 43.13 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.206 -0.934 . . . . 0.53000000000000003 109.637 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.24 153.63 21.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 0.38 108.822 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -145.29 134.19 22.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.306 -0.871 . . . . 0.35999999999999999 109.485 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -84.69 127.06 33.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.269 -0.895 . . . . 1.3600000000000001 108.926 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.94 119.72 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.372 -0.83 . . . . 0.48999999999999999 109.425 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -76.81 144.03 39.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 2.1000000000000001 109.917 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.58 1.18 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.459 -1.056 . . . . 0.44 110.459 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.57 -40.05 84.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 2.7200000000000002 109.52 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.02 -43.12 95.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 2.21 108.647 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.11 -40.03 92.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.462 -0.774 . . . . 2.79 109.102 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.97 -49.85 76.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.464 -0.772 . . . . 0.45000000000000001 109.447 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.61 -41.04 84.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.091 -1.006 . . . . 1.6799999999999999 108.419 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 52.3 ttp -62.28 -49.97 73.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.605 -0.685 . . . . 0.42999999999999999 109.417 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.512 -0.743 . . . . 0.28000000000000003 109.199 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.45 -44.88 92.86 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.367 -0.833 . . . . 2.52 108.862 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -48.96 79.53 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.265 -0.897 . . . . 1.75 108.724 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.32 -45.34 94.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -0.899 . . . . 0.31 108.683 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.08 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.278 -0.888 . . . . 1.21 109.096 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 1.6899999999999999 109.483 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.89 -49.33 78.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.27000000000000002 109.352 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.19 -41.91 98.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 0.29999999999999999 109.142 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -43.27 94.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.869 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.14 -46.9 88.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 0.40000000000000002 108.912 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.13 -40.01 88.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.422 -0.799 . . . . 1.5900000000000001 109.088 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.89 -39.87 86.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.346 -0.846 . . . . 1.4299999999999999 109.677 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.25 92.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.084 -1.01 . . . . 0.65000000000000002 109.654 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.106 -0.996 . . . . 1.1899999999999999 109.306 179.825 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.145 0.498 . . . . 2.1099999999999999 110.176 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -108.14 146.52 32.57 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 109.006 -0.739 . . . . 0.64000000000000001 109.006 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.35 137.15 43.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.2 -0.938 . . . . 0.48999999999999999 109.642 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -87.94 153.36 21.36 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.826 -0.805 . . . . 0.46999999999999997 108.826 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.6 tp -145.17 134.3 22.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.032 . . . . 0.41999999999999998 109.588 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -84.51 126.9 33.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 1.8100000000000001 109.072 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 119.96 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.438 -0.789 . . . . 0.41999999999999998 109.465 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -77.55 143.49 38.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 2.3500000000000001 110.172 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 124.68 1.43 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.158 -1.177 . . . . 0.40999999999999998 110.158 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -67.73 -40.07 84.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.371 -1.076 . . . . 2.5899999999999999 109.391 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.49 94.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.997 . . . . 2.54 109.025 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.74 -39.98 93.5 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.404 -0.81 . . . . 3.3900000000000001 108.985 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.84 -49.57 77.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.46999999999999997 109.39 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.9 -41.53 87.44 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.1 -1.0 . . . . 1.6599999999999999 108.367 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 51.7 ttp -61.58 -50.13 73.84 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.595 -0.691 . . . . 0.60999999999999999 109.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.3 -40.23 95.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.396 -0.815 . . . . 0.33000000000000002 108.843 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.213 -0.929 . . . . 3.2799999999999998 108.878 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -48.7 80.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.272 -0.892 . . . . 1.78 108.636 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.83 -44.78 96.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.238 -0.914 . . . . 0.38 108.762 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.28 -49.71 76.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.256 -0.903 . . . . 1.2 108.927 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.605 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.61 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.76 -49.98 75.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.309 -0.869 . . . . 0.26000000000000001 109.179 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.07 -41.63 96.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.088 -1.008 . . . . 0.40000000000000002 109.36 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.92 95.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 109.034 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.67 -46.94 88.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.75 108.808 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.14 -39.94 88.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -0.82 . . . . 2.1899999999999999 109.203 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.86 -39.99 87.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 1.3400000000000001 109.648 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.71999999999999997 109.608 -179.522 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.27 0.557 . . . . 1.6699999999999999 110.121 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -108.34 146.8 32.45 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.825 -0.806 . . . . 0.60999999999999999 108.825 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -134.45 137.65 44.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.229 -0.919 . . . . 0.56000000000000005 109.726 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -88.86 152.67 21.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 0.42999999999999999 108.731 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -144.38 134.18 23.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.192 -0.943 . . . . 0.34999999999999998 109.469 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -84.3 127.28 33.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.356 -0.84 . . . . 1.3700000000000001 108.794 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.13 119.93 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.437 -0.789 . . . . 0.47999999999999998 109.404 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -77.72 143.57 37.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.366 -0.834 . . . . 2.0800000000000001 110.047 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.86 124.64 1.28 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.11 -1.196 . . . . 0.40000000000000002 110.11 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.47 -40.1 85.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -1.085 . . . . 2.6400000000000001 109.315 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.94 -42.44 94.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 2.2200000000000002 108.86 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.67 -40.04 93.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.369 -0.832 . . . . 2.7400000000000002 109.05 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.99 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.491 -0.756 . . . . 0.42999999999999999 109.21 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.53 -41.48 85.62 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.306 -0.998 . . . . 1.6899999999999999 108.306 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 54.3 ttp -62.05 -49.6 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.521 -0.737 . . . . 0.42999999999999999 109.347 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.85 -40.1 96.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.27000000000000002 109.02 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.31 -45.1 92.23 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.269 -0.894 . . . . 2.4500000000000002 108.721 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -48.29 82.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.749 -0.834 . . . . 1.75 108.749 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.11 -45.01 95.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.31 108.869 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.19 -49.75 76.4 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.41 -0.806 . . . . 1.22 109.012 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.75 -39.91 90.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 1.73 109.455 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.61 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.75 -49.83 76.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.251 -0.906 . . . . 0.28000000000000003 109.379 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.25 -41.96 97.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.031 -1.043 . . . . 0.31 109.246 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.95 95.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 1.9099999999999999 108.786 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.5 tp -60.06 -47.22 86.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.42999999999999999 108.923 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.27 -39.85 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.452 -0.78 . . . . 1.5700000000000001 109.101 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.05 -39.8 87.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 1.4399999999999999 109.345 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.19 95.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.64000000000000001 109.709 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 1.21 109.639 -179.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.036 -0.727 . . . . 1.7 109.036 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.1 144.23 37.42 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.384 -0.822 . . . . 0.60999999999999999 109.635 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.47 139.57 44.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.318 -0.864 . . . . 0.57999999999999996 109.461 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.56 150.41 23.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.41999999999999998 108.797 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -145.9 131.42 18.76 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.075 -1.016 . . . . 0.35999999999999999 109.789 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.26 129.6 35.02 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.605 -0.887 . . . . 1.3700000000000001 108.605 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.26 121.2 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.41 -0.806 . . . . 0.46999999999999997 110.028 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 15' ' ' ARG . 40.7 ttt-85 -75.38 142.51 43.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.481 -0.762 . . . . 2.1000000000000001 110.423 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.49 119.68 1.37 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.176 -1.17 . . . . 0.41999999999999998 110.176 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 17' ' ' ARG . 40.1 ttt-85 -62.5 -42.89 99.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -1.134 . . . . 2.6800000000000002 109.269 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -41.55 92.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.182 -0.949 . . . . 2.2200000000000002 109.068 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.43 -0.794 . . . . 2.77 109.247 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.79 -49.81 76.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.347 -0.846 . . . . 0.42999999999999999 109.647 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.62 89.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.037 -1.039 . . . . 1.6599999999999999 108.782 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.2 ttp -62.49 -50.0 73.14 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.417 -0.802 . . . . 0.44 109.575 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.23 -39.98 94.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.28999999999999998 109.32 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.93 -42.53 94.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 2.4399999999999999 108.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.01 -47.34 86.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.883 -0.784 . . . . 1.74 108.883 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.64 -45.85 92.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.29999999999999999 109.656 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.99 -49.88 75.93 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.174 -0.954 . . . . 1.22 109.29 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.1 tt0 -60.52 -40.13 90.32 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.209 -0.932 . . . . 1.72 110.038 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.99 -50.13 74.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 0.27000000000000002 110.018 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.5 -41.31 97.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.01 . . . . 0.28999999999999998 109.109 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.067 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD11 HE22 ' B' ' 36' ' ' GLN . 58.7 tp -59.87 -49.95 75.68 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.683 -0.858 . . . . 0.40999999999999998 108.683 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.96 -40.07 87.76 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 1.5600000000000001 109.699 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.21 -39.67 87.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -0.883 . . . . 1.4299999999999999 109.49 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.64 85.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 0.66000000000000003 109.607 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 78.1 mt-30 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.141 -0.974 . . . . 1.1799999999999999 109.462 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.083 -0.71 . . . . 1.6100000000000001 109.083 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -108.16 145.03 34.76 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.553 -0.717 . . . . 0.56999999999999995 109.515 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.99 138.99 42.83 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.338 -0.851 . . . . 0.53000000000000003 109.507 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 70.2 p -88.18 150.75 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.221 -0.925 . . . . 0.38 108.805 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -145.92 131.73 19.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.209 -0.932 . . . . 0.35999999999999999 109.705 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.68 129.41 34.95 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.585 -0.894 . . . . 1.3600000000000001 108.585 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 120.49 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.489 -0.757 . . . . 0.48999999999999999 109.986 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' B' ' 15' ' ' ARG . 42.0 ttt-85 -74.92 142.59 43.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 2.1000000000000001 110.284 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 119.41 1.34 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.256 -1.138 . . . . 0.44 110.256 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -62.51 -42.68 99.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -1.155 . . . . 2.7200000000000002 109.232 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.09 -41.48 92.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.108 -0.995 . . . . 2.21 109.042 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -60.04 -40.09 88.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.307 -0.871 . . . . 2.79 109.262 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -58.48 -49.61 76.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.435 -0.791 . . . . 0.45000000000000001 109.619 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.89 -41.15 90.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.057 -1.027 . . . . 1.6799999999999999 108.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.16 -50.09 73.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.451 -0.78 . . . . 0.42999999999999999 109.585 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.81 -41.3 97.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -0.821 . . . . 0.28000000000000003 109.419 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.03 -42.31 89.87 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.108 -0.995 . . . . 2.52 108.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.303 -0.873 . . . . 1.75 108.778 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.71 -45.84 92.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.273 -0.892 . . . . 0.31 109.54 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.98 -49.2 78.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.038 -1.039 . . . . 1.21 109.47 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.05 -40.26 92.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.413 -0.804 . . . . 1.6899999999999999 109.894 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.86 -50.02 75.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.27000000000000002 109.831 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.5 -41.72 97.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.114 -0.991 . . . . 0.29999999999999999 109.276 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.17 -39.44 90.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 1.9299999999999999 109.098 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.425 HD11 HE22 ' A' ' 36' ' ' GLN . 58.2 tp -59.88 -49.8 76.26 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.072 -0.714 . . . . 0.40000000000000002 109.072 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.466 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 34.8 ttmt -60.7 -40.37 91.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.323 -0.861 . . . . 1.5900000000000001 109.345 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -40.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.327 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.42 85.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.419 -0.801 . . . . 0.65000000000000002 109.551 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 78.1 mt-30 . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.17 -0.956 . . . . 1.1899999999999999 109.529 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.084 -0.71 . . . . 2.1099999999999999 109.084 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.49 144.92 37.08 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.474 -0.766 . . . . 0.64000000000000001 109.57 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.3 138.87 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.327 -0.858 . . . . 0.48999999999999999 109.531 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -88.11 150.23 23.47 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.77 -0.826 . . . . 0.46999999999999997 108.77 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.41 131.49 19.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.177 -0.952 . . . . 0.41999999999999998 109.686 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.38 129.28 34.98 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.549 -0.908 . . . . 1.8100000000000001 108.549 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.06 121.47 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.308 -0.87 . . . . 0.41999999999999998 109.843 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -75.16 143.34 43.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.555 -0.716 . . . . 2.3500000000000001 110.254 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.95 119.71 1.25 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 110.381 -1.088 . . . . 0.40999999999999998 110.381 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -62.68 -43.42 98.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -1.076 . . . . 2.5899999999999999 109.194 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.93 -41.53 91.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.123 -0.986 . . . . 2.54 109.156 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.07 -39.79 87.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.481 -0.762 . . . . 3.3900000000000001 109.39 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -58.83 -49.63 76.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.46999999999999997 109.713 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -41.34 91.49 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.147 -0.971 . . . . 1.6599999999999999 108.681 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.0 -50.04 73.62 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.229 -0.919 . . . . 0.60999999999999999 109.585 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.73 -40.57 95.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.33000000000000002 109.45 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.39 -42.66 92.24 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.407 -0.808 . . . . 3.2799999999999998 108.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.19 -47.22 86.88 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.327 -0.858 . . . . 1.78 108.842 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.77 -45.32 94.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 0.38 109.614 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -60.02 -49.98 75.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 1.2 109.514 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.33 -40.52 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.401 -0.812 . . . . 2.1200000000000001 109.946 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.92 -49.83 76.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.089 -1.007 . . . . 0.26000000000000001 109.91 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.64 -41.99 98.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.012 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.7 -39.63 89.23 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.89 . . . . 2.0899999999999999 109.142 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.513 HD11 HE22 ' D' ' 36' ' ' GLN . 57.8 tp -60.41 -49.94 75.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.376 -0.827 . . . . 0.75 109.148 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . 0.526 ' HZ1' ' HB3' ' D' ' 28' ' ' GLU . 35.5 ttmt -60.28 -40.17 89.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 2.1899999999999999 109.326 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.11 -40.01 88.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 1.3400000000000001 109.544 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.194 -0.941 . . . . 0.71999999999999997 109.694 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.021 -0.733 . . . . 1.6699999999999999 109.021 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.47 144.38 37.78 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.394 -0.816 . . . . 0.60999999999999999 109.693 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.45 140.46 44.88 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.367 -0.833 . . . . 0.56000000000000005 109.506 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -89.24 151.04 22.36 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.783 -0.821 . . . . 0.42999999999999999 108.783 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.28 131.84 18.78 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.109 -0.994 . . . . 0.34999999999999998 109.559 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -83.81 129.49 34.94 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.613 -0.884 . . . . 1.3700000000000001 108.613 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.95 121.2 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.559 -0.713 . . . . 0.47999999999999998 109.799 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -75.23 142.99 43.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.588 -0.695 . . . . 2.0800000000000001 110.078 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.58 119.93 1.2 Allowed Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.573 -1.011 . . . . 0.40000000000000002 110.573 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.433 -1.039 . . . . 2.6400000000000001 109.166 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.26 -40.89 91.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.903 . . . . 2.2200000000000002 108.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 2.7400000000000002 109.32 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.59 -49.54 77.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.453 -0.78 . . . . 0.42999999999999999 109.72 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.86 -40.89 90.17 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.955 -1.091 . . . . 1.6899999999999999 108.847 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 65.6 ttp -62.45 -50.07 72.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.402 -0.811 . . . . 0.42999999999999999 109.63 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.88 -40.37 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.472 -0.767 . . . . 0.27000000000000002 109.254 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.46 -42.69 92.56 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.298 -0.876 . . . . 2.4500000000000002 108.851 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . 0.518 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 54.1 tp10 -60.14 -46.99 87.79 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 1.75 108.816 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -61.56 -46.22 90.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.31 109.651 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -59.88 -50.09 75.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 1.22 109.428 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . 0.526 ' HB3' ' HZ1' ' C' ' 33' ' ' LYS . 87.1 tt0 -60.08 -40.28 89.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.26 -0.9 . . . . 1.73 109.798 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.01 -50.44 73.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.101 -0.999 . . . . 0.28000000000000003 109.903 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.73 -42.69 97.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.161 -0.962 . . . . 0.31 109.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.25 -39.87 88.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.085 -1.01 . . . . 1.9099999999999999 109.174 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.858 . . . . 0.42999999999999999 108.873 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.08 -40.25 88.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.2 -0.938 . . . . 1.5700000000000001 109.396 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.94 -40.09 87.76 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.133 -0.979 . . . . 1.4399999999999999 109.477 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.99 84.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.64000000000000001 109.676 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . 0.513 HE22 HD11 ' C' ' 32' ' ' LEU . 78.1 mt-30 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 1.21 109.455 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 121.24 0.543 . . . . 1.7 109.538 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -100.69 140.99 34.18 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.568 -0.707 . . . . 0.60999999999999999 109.564 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -130.17 140.28 50.78 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.449 -0.782 . . . . 0.57999999999999996 109.794 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -90.5 157.83 17.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.153 -0.967 . . . . 0.41999999999999998 108.469 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.3 129.32 13.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 0.35999999999999999 109.532 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -84.52 128.68 34.72 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.318 -0.993 . . . . 1.3700000000000001 108.318 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.29 120.04 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.505 0.669 . . . . 0.46999999999999997 109.247 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 15' ' ' ARG . 38.4 ttt-85 -78.54 146.47 34.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.476 -0.765 . . . . 2.1000000000000001 110.374 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 121.07 0.54 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.597 -1.001 . . . . 0.41999999999999998 110.597 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.15 -39.99 94.48 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.332 -1.099 . . . . 2.6800000000000002 109.157 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.81 -43.68 94.36 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.634 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 42.2 ttm180 -60.24 -40.6 90.81 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.116 -0.99 . . . . 2.77 108.595 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -59.99 -44.95 94.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.42999999999999999 109.147 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -41.97 93.3 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 108.837 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -63.1 -52.43 62.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.529 -0.915 . . . . 0.44 108.529 179.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.42 -39.97 89.34 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.643 -0.873 . . . . 0.28999999999999998 108.643 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HG2' HH11 ' A' ' 24' ' ' ARG . 3.9 ttt-85 -58.27 -49.5 76.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.003 -0.74 . . . . 2.4399999999999999 109.003 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.282 -0.886 . . . . 1.74 109.475 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.23 -40.99 97.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.298 -0.876 . . . . 0.29999999999999999 109.908 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.33 -50.18 74.64 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.949 -1.094 . . . . 1.22 109.394 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.94 -39.78 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.371 -0.83 . . . . 1.72 109.656 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.12 -49.83 76.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.882 . . . . 0.27000000000000002 109.429 -179.32 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.13 -43.99 97.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 0.28999999999999998 109.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.12 93.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.307 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -49.45 77.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.815 . . . . 0.40999999999999998 109.317 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -60.44 -48.93 79.6 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.205 -0.934 . . . . 1.5600000000000001 109.545 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.408 -0.807 . . . . 1.4299999999999999 110.191 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.66000000000000003 109.793 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.8 mt-30 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.437 -0.789 . . . . 1.1799999999999999 109.974 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.449 -0.574 . . . . 1.6100000000000001 109.449 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -100.64 140.91 34.24 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.212 -0.93 . . . . 0.56999999999999995 109.627 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -130.68 139.37 50.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.415 -0.803 . . . . 0.53000000000000003 109.716 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.82 155.35 19.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.294 -0.879 . . . . 0.38 108.71 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.23 129.63 15.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.964 -1.085 . . . . 0.35999999999999999 109.596 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.99 128.36 34.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.348 -0.982 . . . . 1.3600000000000001 108.348 179.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 119.55 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.428 -0.795 . . . . 0.48999999999999999 109.095 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -77.62 146.47 36.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.458 -0.776 . . . . 2.1000000000000001 110.131 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.97 120.15 0.46 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.813 -0.915 . . . . 0.44 110.813 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -61.09 -39.88 91.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.44 -1.035 . . . . 2.7200000000000002 109.059 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.95 -43.68 94.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 2.21 108.749 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.544 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.4 ttm180 -60.4 -40.75 92.06 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.59 -0.893 . . . . 2.79 108.59 179.102 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.04 -45.18 93.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.335 -0.853 . . . . 0.45000000000000001 109.251 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -41.32 91.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.679 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 ttm -63.6 -52.1 62.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 108.526 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.07 -40.09 92.34 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.405 -0.961 . . . . 0.28000000000000003 108.405 179.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.496 ' HG2' HH11 ' B' ' 24' ' ' ARG . 3.2 ttt-85 -57.77 -49.89 75.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.537 -0.727 . . . . 2.52 109.117 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.13 -46.92 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 1.75 109.751 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.53 -41.67 98.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.31 109.729 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -60.12 -50.52 73.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 1.21 109.469 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 24' ' ' ARG . 0.3 OUTLIER -62.6 -39.7 94.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 1.6899999999999999 109.437 179.319 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.35 -50.15 75.07 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.176 -0.952 . . . . 0.27000000000000002 109.476 -179.29 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.15 -44.65 97.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.991 -1.068 . . . . 0.29999999999999999 109.203 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.33 -39.89 92.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 1.9299999999999999 109.372 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.27 -49.58 77.03 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.423 -0.798 . . . . 0.40000000000000002 109.153 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -60.21 -48.85 79.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.211 -0.931 . . . . 1.5900000000000001 109.438 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.9 m-20 -59.75 -40.2 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 110.205 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.028 -1.045 . . . . 0.65000000000000002 109.984 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.8 mt-30 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.226 -0.921 . . . . 1.1899999999999999 110.057 -179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.428 -0.582 . . . . 2.1099999999999999 109.428 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.74 140.65 34.72 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.864 . . . . 0.64000000000000001 109.83 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.01 138.23 49.56 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.436 -0.79 . . . . 0.48999999999999999 110.045 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.9 p -88.13 157.56 18.8 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.83 -0.804 . . . . 0.46999999999999997 108.83 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.46 129.15 13.21 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.07 -1.019 . . . . 0.41999999999999998 109.664 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.73 129.15 34.95 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.399 -0.963 . . . . 1.8100000000000001 108.399 178.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.23 119.92 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.459 -0.776 . . . . 0.41999999999999998 109.227 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -78.78 146.39 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.495 -0.753 . . . . 2.3500000000000001 110.231 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.0 120.65 0.48 Allowed Glycine 0 N--CA 1.491 2.345 0 C-N-CA 120.267 -0.968 . . . . 0.40999999999999998 110.787 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -61.28 -39.98 92.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.528 -0.984 . . . . 2.5899999999999999 109.218 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.11 -43.04 95.89 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.642 -0.873 . . . . 2.54 108.642 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -61.14 -40.7 94.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.29 -1.004 . . . . 3.3900000000000001 108.29 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.75 -45.76 91.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.46999999999999997 109.282 179.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.86 -41.97 92.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 1.6599999999999999 108.754 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -62.62 -52.4 63.5 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.422 -0.955 . . . . 0.60999999999999999 108.422 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -60.55 -40.0 89.96 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.82 -0.807 . . . . 0.33000000000000002 108.82 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . 0.526 HH11 ' HG2' ' C' ' 24' ' ' ARG . 3.9 ttt-85 -58.6 -48.89 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.497 -0.752 . . . . 3.2799999999999998 109.034 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.19 -48.14 82.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 1.78 109.322 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.65 -41.29 98.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.38 109.98 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -60.06 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 1.2 109.587 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' C' ' 24' ' ' ARG . 0.4 OUTLIER -63.26 -39.2 93.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 2.1200000000000001 109.545 179.613 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.635 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.74 -50.45 73.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.323 -0.86 . . . . 0.26000000000000001 109.459 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.76 -45.73 93.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.982 -1.074 . . . . 0.40000000000000002 108.977 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.65 90.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 2.0899999999999999 109.739 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -49.44 77.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 0.75 109.248 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.13 -48.82 80.13 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.202 -0.936 . . . . 2.1899999999999999 109.359 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.3 m-20 -59.86 -40.13 87.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.525 -0.734 . . . . 1.3400000000000001 110.428 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.239 -0.913 . . . . 0.71999999999999997 110.004 -179.44 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 121.289 0.566 . . . . 1.6699999999999999 109.579 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.79 141.37 33.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.517 -0.739 . . . . 0.60999999999999999 109.319 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.48 138.84 49.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.532 -0.73 . . . . 0.56000000000000005 109.737 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.05 157.48 18.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.193 -0.942 . . . . 0.42999999999999999 108.581 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -148.97 130.06 14.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.899 -1.126 . . . . 0.34999999999999998 109.301 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -85.57 128.31 34.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.13 -0.981 . . . . 1.3700000000000001 108.421 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.12 119.08 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.47999999999999998 109.329 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -76.99 146.69 37.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.633 -0.667 . . . . 2.0800000000000001 110.204 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.01 120.45 0.47 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.82 -0.912 . . . . 0.40000000000000002 110.82 178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -61.81 -39.89 93.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.495 -1.003 . . . . 2.6400000000000001 108.677 178.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -42.67 95.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.872 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.4 ttm180 -61.48 -40.43 94.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.026 -1.046 . . . . 2.7400000000000002 108.593 179.088 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.98 -45.4 92.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.409 -0.807 . . . . 0.42999999999999999 109.25 179.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -42.23 93.65 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.141 -0.975 . . . . 1.6899999999999999 108.621 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttm -62.12 -52.93 61.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.221 -0.924 . . . . 0.42999999999999999 108.529 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.53 -39.95 89.71 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.487 -0.931 . . . . 0.27000000000000002 108.487 179.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' D' ' 24' ' ' ARG . 3.6 ttt-85 -58.33 -49.57 76.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.401 -0.812 . . . . 2.4500000000000002 109.076 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -47.72 84.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.322 -0.861 . . . . 1.75 109.548 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.31 109.983 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -60.29 -49.84 76.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.035 -1.04 . . . . 1.22 109.572 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -39.79 95.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.462 -0.774 . . . . 1.73 109.285 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.635 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.24 -50.53 73.66 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.308 -0.87 . . . . 0.28000000000000003 109.339 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.76 -45.22 95.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.122 -0.986 . . . . 0.31 108.999 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.56 -40.08 90.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.9099999999999999 110.005 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.2 -49.27 78.31 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.274 -0.891 . . . . 0.42999999999999999 109.379 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -60.4 -48.76 80.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 1.5700000000000001 109.475 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . 0.544 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.516 -0.74 . . . . 1.4399999999999999 110.04 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.81 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.22 -0.925 . . . . 0.64000000000000001 110.108 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.21 109.896 -179.553 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.365 0.602 . . . . 1.7 109.979 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.02 148.23 22.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.60999999999999999 109.047 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -135.08 136.43 42.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.289 -0.882 . . . . 0.57999999999999996 109.605 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.88 151.92 22.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.336 -0.853 . . . . 0.41999999999999998 109.035 179.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -146.84 131.15 17.52 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -0.956 . . . . 0.35999999999999999 109.676 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.66 129.99 34.97 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.4 -0.963 . . . . 1.3700000000000001 108.4 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 121.01 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.286 -0.884 . . . . 0.46999999999999997 109.976 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.57 141.91 44.72 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.306 0.574 . . . . 2.1000000000000001 110.339 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.37 126.28 0.95 Allowed Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.525 -1.03 . . . . 0.41999999999999998 110.525 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -66.57 -39.96 88.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.411 -1.052 . . . . 2.6800000000000002 109.32 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.06 -43.63 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.168 -0.957 . . . . 2.2200000000000002 109.331 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.401 HH12 ' CG ' ' C' ' 31' ' ' GLU . 41.7 ttm180 -60.12 -40.05 88.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 2.77 109.025 179.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.9 -48.92 79.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.42999999999999999 109.469 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.31 -43.54 92.64 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.004 -1.06 . . . . 1.6599999999999999 108.724 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 63.6 ttp -61.2 -49.71 76.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.307 -0.871 . . . . 0.44 109.178 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.86 -40.48 93.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.28999999999999998 109.189 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.36 -45.21 92.05 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.172 -0.955 . . . . 2.4399999999999999 108.562 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 1.74 108.899 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.01 -42.8 99.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.29999999999999999 109.431 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.943 . . . . 1.22 109.696 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.71 -40.17 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.72 109.521 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.65 -50.04 75.43 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.844 . . . . 0.27000000000000002 109.607 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.78 -44.44 96.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.082 -1.012 . . . . 0.28999999999999998 109.229 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HG2' HH12 ' C' ' 19' ' ' ARG . 98.9 mt-10 -60.56 -40.52 91.92 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.197 -0.94 . . . . 1.9099999999999999 109.239 179.247 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.37 -45.07 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.361 -0.837 . . . . 0.40999999999999998 108.865 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.5 -41.11 93.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 1.5600000000000001 109.619 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 88.3 m-20 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.4299999999999999 109.943 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.07 -26.72 67.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.66000000000000003 109.591 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 1.1799999999999999 109.735 -179.748 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.343 0.592 . . . . 1.6100000000000001 109.828 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.22 148.91 21.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.56999999999999995 109.051 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.45 136.95 41.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.856 . . . . 0.53000000000000003 109.617 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.22 151.79 21.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.235 -0.916 . . . . 0.38 108.911 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -146.31 131.24 18.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.059 -1.025 . . . . 0.35999999999999999 109.538 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.83 130.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.457 -0.942 . . . . 1.3600000000000001 108.457 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -120.04 121.55 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.357 -0.839 . . . . 0.48999999999999999 110.098 -179.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -74.62 142.52 44.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.688 -0.632 . . . . 2.1000000000000001 110.309 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.37 128.33 0.93 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.719 -0.952 . . . . 0.44 110.719 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -68.1 -40.02 82.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.533 -0.981 . . . . 2.7200000000000002 109.361 179.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.02 -43.28 95.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 2.21 109.149 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.49 -39.94 89.53 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.447 -0.783 . . . . 2.79 108.933 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.98 -49.38 77.91 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.522 -0.737 . . . . 0.45000000000000001 109.59 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.15 -43.8 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.702 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.79 -49.31 78.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.444 -0.785 . . . . 0.42999999999999999 109.221 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.66 -40.35 94.61 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.369 -0.832 . . . . 0.28000000000000003 109.029 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.116 -0.99 . . . . 2.52 108.676 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.61 85.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.357 -0.839 . . . . 1.75 109.004 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.85 -42.72 99.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.31 109.444 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.89 -50.04 75.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 1.21 109.681 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.2 -40.06 96.42 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.904 . . . . 1.6899999999999999 109.447 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.64 -50.02 75.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.35 -0.844 . . . . 0.27000000000000002 109.524 -179.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.7 -44.59 96.64 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.077 -1.015 . . . . 0.29999999999999999 109.247 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.436 ' CG ' HH12 ' D' ' 19' ' ' ARG . 98.2 mt-10 -60.44 -40.94 92.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.206 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.95 -45.44 94.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 0.40000000000000002 108.754 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.32 -40.75 91.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 1.5900000000000001 109.595 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 93.9 m-20 -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -0.856 . . . . 1.4299999999999999 109.957 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.97 67.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 0.65000000000000002 109.524 -179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 1.1899999999999999 109.664 -179.803 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.366 0.603 . . . . 2.1099999999999999 110.003 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.89 148.9 21.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 0.64000000000000001 109.0 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.71 136.82 41.17 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.346 -0.846 . . . . 0.48999999999999999 109.625 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.21 152.25 21.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.46999999999999997 109.015 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.05 131.14 17.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.41999999999999998 109.532 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -83.49 130.21 35.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.188 -1.042 . . . . 1.8100000000000001 108.188 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.87 121.09 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.33 -0.857 . . . . 0.41999999999999998 110.033 -179.265 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -74.47 142.13 44.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.699 -0.626 . . . . 2.3500000000000001 110.407 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 126.34 0.87 Allowed Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.40999999999999998 110.648 178.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -66.52 -40.11 89.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -1.065 . . . . 2.5899999999999999 109.216 179.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.01 -43.39 95.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.134 -0.979 . . . . 2.54 109.111 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -60.29 -40.0 88.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.214 -0.928 . . . . 3.3900000000000001 108.974 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.12 -48.58 81.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.474 -0.766 . . . . 0.46999999999999997 109.505 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.1 -42.33 94.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.737 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.9 ttp -62.23 -48.91 77.86 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.394 -0.816 . . . . 0.60999999999999999 109.176 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.92 -40.54 95.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.475 -0.766 . . . . 0.33000000000000002 109.146 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.24 -44.96 92.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.223 -0.923 . . . . 3.2799999999999998 108.791 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.12 -47.69 84.85 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.239 -0.913 . . . . 1.78 108.871 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.82 -42.18 99.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.292 -0.88 . . . . 0.38 109.474 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.97 -49.92 75.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 1.2 109.665 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.46 -39.89 95.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.845 . . . . 2.1200000000000001 109.617 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.57 -50.02 75.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.26000000000000001 109.487 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.48 -44.62 96.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.40000000000000002 109.34 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.401 ' CG ' HH12 ' A' ' 19' ' ' ARG . 98.7 mt-10 -60.78 -41.01 94.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.893 . . . . 2.0899999999999999 109.159 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.99 -45.34 95.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.75 108.794 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.06 -40.82 90.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 2.1899999999999999 109.676 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -0.918 . . . . 1.3400000000000001 110.164 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.919 . . . . 0.71999999999999997 109.591 -179.657 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.449 0.642 . . . . 1.6699999999999999 109.994 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -93.51 148.41 22.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.60999999999999999 109.189 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.27 136.21 41.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.355 -0.84 . . . . 0.56000000000000005 109.685 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -89.01 152.16 21.85 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.298 -0.877 . . . . 0.42999999999999999 108.891 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 tp -146.91 130.95 17.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 0.34999999999999998 109.57 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -83.35 130.12 35.03 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.398 -0.964 . . . . 1.3700000000000001 108.398 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.07 121.35 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.47999999999999998 109.909 -179.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.64 142.25 44.56 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.343 0.592 . . . . 2.0800000000000001 110.302 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.83 127.74 0.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.616 -0.993 . . . . 0.40000000000000002 110.616 178.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.85 -39.96 83.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -1.033 . . . . 2.6400000000000001 109.233 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.05 -43.68 95.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.112 -0.993 . . . . 2.2200000000000002 109.031 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.436 HH12 ' CG ' ' B' ' 31' ' ' GLU . 42.0 ttm180 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.276 -0.89 . . . . 2.7400000000000002 108.93 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.75 -48.68 80.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.403 -0.811 . . . . 0.42999999999999999 109.678 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.88 -43.28 94.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.051 . . . . 1.6899999999999999 108.839 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -61.21 -49.78 75.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.405 -0.809 . . . . 0.42999999999999999 109.039 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.96 -40.4 93.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.335 -0.853 . . . . 0.27000000000000002 109.163 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.5 -44.8 93.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.474 -0.935 . . . . 2.4500000000000002 108.474 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.14 -47.27 86.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.914 . . . . 1.75 108.88 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.47 -42.79 98.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.37 -0.831 . . . . 0.31 109.478 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -60.01 -50.09 75.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.253 -0.905 . . . . 1.22 109.571 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.05 -40.1 96.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.23 -0.919 . . . . 1.73 109.523 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.4 -49.92 75.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.377 -0.827 . . . . 0.28000000000000003 109.698 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.88 -44.04 97.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 0.31 109.295 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -41.1 94.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.017 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.78 -45.35 94.7 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.271 -0.893 . . . . 0.42999999999999999 108.992 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.14 -41.3 92.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.442 -0.786 . . . . 1.5700000000000001 109.575 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 1.4399999999999999 109.994 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.19 67.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.64000000000000001 109.528 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 1.21 109.716 -179.928 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.516 0.674 . . . . 1.7 110.063 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -98.25 146.65 25.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.5 -0.75 . . . . 0.60999999999999999 109.759 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -135.75 140.27 44.22 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.395 -0.816 . . . . 0.57999999999999996 109.884 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 p -89.72 151.37 21.88 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.293 -0.879 . . . . 0.41999999999999998 109.19 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.66 131.8 20.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.029 -1.045 . . . . 0.35999999999999999 109.572 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -83.17 128.36 34.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 109.039 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.56 120.51 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.458 -0.776 . . . . 0.46999999999999997 109.71 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.47 143.51 44.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.438 -0.789 . . . . 2.1000000000000001 110.512 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.1 124.04 0.9 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.821 -0.912 . . . . 0.41999999999999998 110.821 178.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NH1' ' CD2' ' A' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -40.86 96.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -1.102 . . . . 2.6800000000000002 109.605 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -43.1 95.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 2.2200000000000002 109.109 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.67 -40.01 90.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.429 -0.795 . . . . 2.77 109.144 179.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CD2' ' NH1' ' A' ' 17' ' ' ARG . 49.3 t80 -59.61 -49.09 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.298 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.49 -40.03 85.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.168 -0.957 . . . . 1.6599999999999999 108.734 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -63.49 -50.04 71.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.54 -0.725 . . . . 0.44 109.509 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.55 -40.01 95.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.28999999999999998 109.243 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -59.25 -43.38 92.42 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.334 -0.854 . . . . 2.4399999999999999 108.84 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.18 -46.58 89.21 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.273 -0.892 . . . . 1.74 108.808 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.85 -43.31 99.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.401 -0.812 . . . . 0.29999999999999999 109.345 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.96 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.22 108.955 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -40.11 94.44 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.487 -0.758 . . . . 1.72 109.499 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.31 -49.58 77.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.221 -0.924 . . . . 0.27000000000000002 109.582 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -44.04 97.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.004 -1.06 . . . . 0.28999999999999998 109.192 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -0.896 . . . . 1.9099999999999999 109.62 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD11 HE22 ' B' ' 36' ' ' GLN . 59.8 tp -60.04 -48.67 80.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.267 -0.896 . . . . 0.40999999999999998 109.097 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.379 -0.826 . . . . 1.5600000000000001 109.439 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 1.4299999999999999 109.953 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.04 93.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.059 -1.025 . . . . 0.66000000000000003 109.358 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.568 HE22 HD11 ' B' ' 32' ' ' LEU . 79.6 mt-30 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 1.1799999999999999 109.821 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.418 0.628 . . . . 1.6100000000000001 109.751 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -98.14 147.09 24.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.477 -0.764 . . . . 0.56999999999999995 109.53 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -135.82 141.27 44.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.342 -0.849 . . . . 0.53000000000000003 109.736 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -90.85 152.13 20.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.38 109.022 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -145.21 132.53 20.61 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.35999999999999999 109.327 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -83.95 127.92 34.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.337 -0.852 . . . . 1.3600000000000001 109.08 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.02 120.55 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.526 -0.734 . . . . 0.48999999999999999 109.735 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.33 144.15 44.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -0.786 . . . . 2.1000000000000001 110.409 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 123.95 0.84 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 120.437 -0.887 . . . . 0.44 110.924 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.605 ' NH1' ' CD2' ' B' ' 20' ' ' PHE . 27.0 tpt180 -64.99 -40.4 94.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -1.046 . . . . 2.7200000000000002 109.352 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.54 -43.33 97.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.148 -0.97 . . . . 2.21 108.947 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.41 -39.98 89.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.409 -0.807 . . . . 2.79 109.009 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.605 ' CD2' ' NH1' ' B' ' 17' ' ' ARG . 49.9 t80 -59.22 -49.14 79.0 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -0.804 . . . . 0.45000000000000001 109.32 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.89 -40.21 87.96 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 1.6799999999999999 108.81 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 62.6 ttp -62.91 -50.13 72.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.356 -0.84 . . . . 0.42999999999999999 109.454 179.498 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.78 -40.34 96.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.28000000000000003 109.229 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -59.02 -43.69 91.6 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 2.52 108.743 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -46.37 89.75 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.316 -0.865 . . . . 1.75 108.992 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -43.06 99.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.31 109.26 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.265 -0.897 . . . . 1.21 109.161 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -39.94 93.4 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.593 -0.692 . . . . 1.6899999999999999 109.376 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.44 -50.21 74.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.303 -0.873 . . . . 0.27000000000000002 109.686 -179.309 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.05 -43.87 98.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.09 -1.006 . . . . 0.29999999999999999 109.207 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.46 -40.09 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.268 -0.895 . . . . 1.9299999999999999 109.629 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.568 HD11 HE22 ' A' ' 36' ' ' GLN . 59.4 tp -60.08 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.40000000000000002 108.938 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 1.5900000000000001 109.451 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.2 m-20 -59.9 -40.05 87.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 1.4299999999999999 109.677 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.06 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.056 -1.028 . . . . 0.65000000000000002 109.641 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.595 HE22 HD11 ' A' ' 32' ' ' LEU . 79.2 mt-30 . . . . . 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 1.1899999999999999 109.784 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.456 0.646 . . . . 2.1099999999999999 109.911 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.27 146.77 25.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.488 -0.758 . . . . 0.64000000000000001 109.695 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.86 140.5 44.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.321 -0.862 . . . . 0.48999999999999999 109.952 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 46.3 p -89.61 151.58 21.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.384 -0.822 . . . . 0.46999999999999997 109.078 179.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.87 131.79 20.24 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.41999999999999998 109.193 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -83.16 128.47 34.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.827 . . . . 1.8100000000000001 109.048 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.63 121.4 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.518 -0.739 . . . . 0.41999999999999998 109.82 -179.296 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -75.2 143.08 43.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.44 -0.787 . . . . 2.3500000000000001 110.652 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 124.89 0.98 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.752 -0.939 . . . . 0.40999999999999998 110.752 178.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . 0.578 ' NH1' ' CD2' ' C' ' 20' ' ' PHE . 27.0 tpt180 -65.18 -40.65 94.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.306 -1.114 . . . . 2.5899999999999999 109.385 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -43.52 95.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 2.54 109.109 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.44 -39.98 89.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.313 -0.867 . . . . 3.3900000000000001 109.144 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.578 ' CD2' ' NH1' ' C' ' 17' ' ' ARG . 48.1 t80 -59.37 -48.91 79.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.46999999999999997 109.372 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.91 -40.32 88.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.11 -0.994 . . . . 1.6599999999999999 108.77 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 62.6 ttp -63.03 -50.1 72.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.446 -0.784 . . . . 0.60999999999999999 109.447 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.32 -40.55 96.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.458 -0.776 . . . . 0.33000000000000002 109.28 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -58.95 -43.4 91.27 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 3.2799999999999998 108.999 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.06 -46.56 89.16 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.402 -0.811 . . . . 1.78 108.855 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.38 109.404 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.96 -49.93 75.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.286 -0.884 . . . . 1.2 109.054 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.13 -39.93 94.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 2.1200000000000001 109.442 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.22 -50.05 75.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 0.26000000000000001 109.649 -179.406 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.61 -43.67 98.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.086 -1.009 . . . . 0.40000000000000002 109.054 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.288 -0.883 . . . . 2.0899999999999999 109.746 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 32' ' ' LEU . . . . . 0.586 HD11 HE22 ' D' ' 36' ' ' GLN . 58.7 tp -60.08 -48.97 79.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 0.75 109.067 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -59.95 -40.1 87.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.552 -0.717 . . . . 2.1899999999999999 109.319 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.61 -40.0 86.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 1.3400000000000001 109.898 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.71999999999999997 109.619 -179.738 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.493 0.663 . . . . 1.6699999999999999 109.936 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -98.05 146.96 25.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.557 -0.715 . . . . 0.60999999999999999 109.723 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -135.85 141.29 44.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.397 -0.814 . . . . 0.56000000000000005 109.705 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 46.0 p -91.05 151.85 20.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.368 -0.832 . . . . 0.42999999999999999 108.989 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -144.65 132.5 21.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.235 -0.916 . . . . 0.34999999999999998 109.301 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -83.78 128.0 34.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.169 -0.957 . . . . 1.3700000000000001 108.87 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.12 121.02 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.548 -0.72 . . . . 0.47999999999999998 109.613 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.53 143.53 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.808 . . . . 2.0800000000000001 110.381 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.17 123.78 0.89 Allowed Glycine 0 N--CA 1.494 2.522 0 O-C-N 121.232 -0.918 . . . . 0.40000000000000002 110.852 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 17' ' ' ARG . . . . . 0.569 ' NH1' ' CD2' ' D' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -41.01 96.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.461 -1.023 . . . . 2.6400000000000001 109.367 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -43.2 95.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.125 -0.984 . . . . 2.2200000000000002 109.245 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 19' ' ' ARG . . . . . 0.461 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.0 ttm180 -60.73 -40.03 90.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.36 -0.837 . . . . 2.7400000000000002 109.017 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' NH1' ' D' ' 17' ' ' ARG . 45.9 t80 -59.39 -48.96 79.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.344 -0.847 . . . . 0.42999999999999999 109.235 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.92 -40.28 88.32 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.001 -1.062 . . . . 1.6899999999999999 108.592 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 61.6 ttp -62.81 -50.0 72.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.377 -0.827 . . . . 0.42999999999999999 109.474 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.79 -40.38 97.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.444 -0.785 . . . . 0.27000000000000002 109.305 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -59.23 -43.46 92.36 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 2.4500000000000002 108.86 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -46.16 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 1.75 108.997 179.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.43 -43.32 97.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.88 . . . . 0.31 109.342 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.97 -50.01 75.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.301 -0.874 . . . . 1.22 109.002 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.9 94.09 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.37 -0.831 . . . . 1.73 109.452 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.08 -49.99 75.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.311 -0.868 . . . . 0.28000000000000003 109.582 -179.45 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.49 -43.79 98.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.054 -1.029 . . . . 0.31 109.15 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.52 -40.06 90.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.637 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.96 -48.91 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.906 . . . . 0.42999999999999999 109.052 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -59.96 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.397 -0.814 . . . . 1.5700000000000001 109.465 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.87 -40.04 87.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.4399999999999999 109.936 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.01 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.64000000000000001 109.329 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 36' ' ' GLN . . . . . 0.586 HE22 HD11 ' C' ' 32' ' ' LEU . 78.8 mt-30 . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 1.21 109.827 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.695 ' O ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 108.353 -0.981 . . . . 8.4900000000000002 108.353 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.614 ' HZ2' ' N ' ' A' ' 1' ' ' LYS . 1.3 mptp? 58.21 -39.39 0.05 Allowed 'General case' 0 N--CA 1.506 2.368 0 CA-C-O 121.219 0.533 . . . . 8.1600000000000001 110.282 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.695 ' N ' ' O ' ' A' ' 1' ' ' LYS . 7.1 mtmp? 54.83 151.5 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 113.635 0.976 . . . . 8.5399999999999991 113.635 177.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -78.02 -170.62 1.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 N-CA-C 102.269 -3.781 . . . . 4.6500000000000004 102.269 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.8 mt -88.75 116.72 27.22 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 106.355 -1.72 . . . . 5.3600000000000003 106.355 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -69.74 161.62 29.41 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.765 -1.198 . . . . 3.4199999999999999 107.765 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.86 139.1 46.23 Favored Glycine 0 N--CA 1.482 1.715 0 N-CA-C 108.032 -2.027 . . . . 1.0600000000000001 108.032 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -52.81 131.97 36.05 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.483 -1.01 . . . . 1.76 108.32 -178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -89.47 144.18 26.24 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.494 -0.754 . . . . 0.52000000000000002 109.831 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.3 143.13 49.67 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 108.742 -0.836 . . . . 0.47999999999999998 108.742 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.54 153.49 17.86 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.905 -1.146 . . . . 0.23000000000000001 107.905 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -145.62 130.47 18.16 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.218 -0.926 . . . . 0.26000000000000001 109.268 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.22 127.4 33.14 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.357 -0.979 . . . . 0.90000000000000002 108.357 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 81.2 mt -119.97 119.99 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.623 -0.88 . . . . 0.26000000000000001 108.623 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.36 148.41 35.6 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.687 -0.633 . . . . 2.27 109.35 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 115.57 0.34 Allowed Glycine 0 N--CA 1.49 2.275 0 N-CA-C 110.5 -1.04 . . . . 0.35999999999999999 110.5 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.3 -39.91 88.65 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.456 -1.026 . . . . 2.6299999999999999 109.116 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.31 -46.47 86.08 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.575 -0.898 . . . . 2.1699999999999999 108.575 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.1 -39.82 87.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.646 -0.659 . . . . 2.0099999999999998 109.251 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.17 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.212 -0.93 . . . . 0.28000000000000003 109.792 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.35 -41.02 88.23 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.053 -1.029 . . . . 1.1699999999999999 108.317 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.51 -50.09 70.98 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.534 -0.729 . . . . 0.62 109.741 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.82 -39.96 93.61 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.425 -0.797 . . . . 0.79000000000000004 109.267 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.06 -43.7 91.76 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.99 -1.069 . . . . 2.2799999999999998 109.584 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.08 -46.84 88.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.174 -0.954 . . . . 1.4399999999999999 109.092 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.22 -40.23 95.44 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.357 -0.979 . . . . 0.29999999999999999 108.357 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.58 -56.43 19.97 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-O 121.59 0.709 . . . . 0.84999999999999998 109.885 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.5 -39.98 89.7 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.551 -0.718 . . . . 2.1600000000000001 109.388 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.14 81.2 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.374 -0.829 . . . . 0.20000000000000001 109.371 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 84.7 mt -64.25 -41.99 96.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.049 -1.032 . . . . 0.28000000000000003 109.572 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -60.18 -39.78 87.67 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 1.5800000000000001 109.622 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.73 HD11 HE22 ' B' ' 36' ' ' GLN . 21.6 tp -60.78 -47.98 83.85 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.259 -0.9 . . . . 0.69999999999999996 109.107 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.57 -40.57 92.16 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.267 -0.896 . . . . 1.3400000000000001 108.766 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.83 86.5 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.232 0.539 . . . . 1.24 109.65 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.56 95.87 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.528 -0.915 . . . . 0.59999999999999998 108.528 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.724 HE22 HD11 ' B' ' 32' ' ' LEU . 17.1 mt-30 -77.4 -30.03 53.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.316 -0.865 . . . . 2.29 108.851 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -65.55 -29.79 70.46 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.175 -1.417 . . . . 1.02 107.175 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.04 6.02 4.3 Favored Glycine 0 N--CA 1.482 1.765 0 N-CA-C 108.438 -1.865 . . . . 1.76 108.438 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 37' ' ' ALA . 19.8 tttm -78.91 136.77 37.37 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.246 -1.15 . . . . 3.73 108.682 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.5 150.76 43.12 Favored Pre-proline 0 C--N 1.3 -1.544 0 O-C-N 121.694 -0.629 . . . . 5.7400000000000002 109.93 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.61 158.99 14.7 Favored 'Trans proline' 0 C--N 1.322 -0.865 0 N-CA-C 107.637 -1.717 . . . . 5.0899999999999999 107.637 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.394 0 N-CA-C 109.28 -1.528 . . . . 7.21 109.28 -179.505 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.7 ' O ' ' N ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 108.369 -0.974 . . . . 8.4700000000000006 108.369 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.568 ' HZ3' ' H2 ' ' B' ' 1' ' ' LYS . 1.3 mptp? 58.27 -39.45 0.06 Allowed 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.776 -0.578 . . . . 8.1199999999999992 110.268 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.7 ' N ' ' O ' ' B' ' 1' ' ' LYS . 7.1 mtmp? 54.85 151.54 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 N-CA-C 113.666 0.987 . . . . 8.5700000000000003 113.666 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -78.1 -170.67 1.01 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 N-CA-C 102.256 -3.786 . . . . 4.6299999999999999 102.256 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 63.0 mt -88.76 116.6 27.14 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 106.413 -1.699 . . . . 5.3499999999999996 106.413 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -69.89 160.01 32.62 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.917 -1.142 . . . . 3.48 107.917 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.05 138.75 38.39 Favored Glycine 0 N--CA 1.483 1.815 0 N-CA-C 108.358 -1.897 . . . . 1.1000000000000001 108.358 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.16 132.14 37.98 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 121.411 -1.052 . . . . 1.75 108.24 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.52 144.17 26.24 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.505 -0.747 . . . . 0.55000000000000004 109.898 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.25 143.09 49.67 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.748 -0.834 . . . . 0.5 108.748 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -94.5 153.44 17.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.951 -1.129 . . . . 0.23000000000000001 107.951 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.6 tp -145.6 130.56 18.26 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.177 -0.952 . . . . 0.26000000000000001 109.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.28 127.48 33.25 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.29 -1.004 . . . . 0.91000000000000003 108.29 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 81.4 mt -120.09 120.01 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.646 -0.872 . . . . 0.25 108.646 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.39 148.39 35.55 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.43 -0.582 . . . . 2.2599999999999998 109.43 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.94 115.57 0.34 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 110.45 -1.06 . . . . 0.34000000000000002 110.45 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.16 -40.06 88.57 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.52 -0.988 . . . . 2.6299999999999999 109.118 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.23 -46.49 85.83 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 108.576 -0.898 . . . . 2.1400000000000001 108.576 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.09 -39.82 87.48 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.59 -0.693 . . . . 1.99 109.351 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.18 -48.66 80.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.27000000000000002 109.806 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.18 -41.07 87.61 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.029 -1.044 . . . . 1.1799999999999999 108.411 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.59 -49.98 71.23 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.561 -0.712 . . . . 0.62 109.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.89 93.55 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.404 -0.81 . . . . 0.78000000000000003 109.311 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.11 -43.67 91.93 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.053 -1.03 . . . . 2.2999999999999998 109.597 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.05 -46.87 88.09 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 1.4399999999999999 109.104 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.25 -40.2 95.4 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 108.295 -1.002 . . . . 0.28000000000000003 108.295 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.68 -56.34 20.74 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.572 0.701 . . . . 0.83999999999999997 109.91 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.87 89.46 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.602 -0.686 . . . . 2.1600000000000001 109.461 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.12 81.43 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.354 -0.841 . . . . 0.20000000000000001 109.352 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.431 ' O ' ' OD1' ' B' ' 34' ' ' ASP . 84.7 mt -64.22 -42.03 96.77 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.126 -0.984 . . . . 0.28999999999999998 109.475 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -60.13 -40.19 88.92 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.204 -0.935 . . . . 1.5700000000000001 109.38 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.724 HD11 HE22 ' A' ' 36' ' ' GLN . 21.6 tp -60.53 -47.98 83.76 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.247 -0.908 . . . . 0.72999999999999998 109.182 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.66 -40.38 91.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.31 -0.869 . . . . 1.3600000000000001 108.741 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' B' ' 30' ' ' LEU . 1.1 m-20 -59.95 -39.99 87.46 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.804 -0.56 . . . . 1.25 109.56 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.55 95.31 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.255 -0.903 . . . . 0.60999999999999999 108.711 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.73 HE22 HD11 ' A' ' 32' ' ' LEU . 17.0 mt-30 -77.54 -29.92 52.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.891 . . . . 2.2799999999999998 108.825 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -65.59 -29.78 70.42 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.159 -1.423 . . . . 1.0600000000000001 107.159 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.11 6.06 4.35 Favored Glycine 0 N--CA 1.483 1.768 0 N-CA-C 108.404 -1.879 . . . . 1.77 108.404 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' B' ' 37' ' ' ALA . 19.8 tttm -78.88 136.8 37.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -1.12 . . . . 3.7400000000000002 108.732 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.47 150.73 43.03 Favored Pre-proline 0 C--N 1.299 -1.61 0 O-C-N 121.677 -0.639 . . . . 5.7999999999999998 109.934 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.56 158.92 14.76 Favored 'Trans proline' 0 C--N 1.321 -0.916 0 N-CA-C 107.66 -1.708 . . . . 5.0199999999999996 107.66 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.405 0 N-CA-C 109.238 -1.545 . . . . 7.1100000000000003 109.238 -179.536 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.698 ' O ' ' N ' ' C' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 108.392 -0.966 . . . . 8.4800000000000004 108.392 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.665 ' NZ ' ' H2 ' ' C' ' 1' ' ' LYS . 1.3 mptp? 58.14 -39.31 0.05 Allowed 'General case' 0 N--CA 1.506 2.351 0 O-C-N 121.77 -0.581 . . . . 8.0999999999999996 110.283 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.698 ' N ' ' O ' ' C' ' 1' ' ' LYS . 7.1 mtmp? 54.77 151.53 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.772 0 N-CA-C 113.71 1.004 . . . . 8.5399999999999991 113.71 177.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -78.05 -170.66 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 N-CA-C 102.248 -3.789 . . . . 4.6699999999999999 102.248 171.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 63.0 mt -88.76 116.68 27.2 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 106.435 -1.691 . . . . 5.3499999999999996 106.435 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -69.86 160.67 31.37 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.855 -1.165 . . . . 3.46 107.855 -178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.25 138.87 42.39 Favored Glycine 0 N--CA 1.482 1.705 0 N-CA-C 108.194 -1.962 . . . . 1.0900000000000001 108.194 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -52.84 132.02 36.28 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.48 -1.012 . . . . 1.77 108.316 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -89.51 144.15 26.26 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.452 -0.78 . . . . 0.55000000000000004 109.875 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.31 143.12 49.65 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.708 -0.849 . . . . 0.52000000000000002 108.708 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.9 p -94.42 153.5 17.92 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.928 -1.138 . . . . 0.23999999999999999 107.928 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.7 130.51 18.12 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.162 -0.961 . . . . 0.27000000000000002 109.217 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.28 127.41 33.18 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.292 -1.003 . . . . 0.92000000000000004 108.292 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -119.98 120.11 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.615 -0.884 . . . . 0.27000000000000002 108.615 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -77.41 148.35 35.53 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.724 -0.61 . . . . 2.2400000000000002 109.408 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.98 115.57 0.35 Allowed Glycine 0 N--CA 1.491 2.328 0 N-CA-C 110.464 -1.054 . . . . 0.37 110.464 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.37 -39.85 88.69 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.461 -1.023 . . . . 2.6400000000000001 109.073 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.53 86.0 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.587 -0.894 . . . . 2.1600000000000001 108.587 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.573 -0.704 . . . . 2.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -59.13 -48.63 80.9 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.27 -0.894 . . . . 0.28000000000000003 109.794 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -59.34 -40.96 88.05 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.048 -1.033 . . . . 1.21 108.305 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 47.0 ttp -63.59 -50.0 71.15 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.547 -0.721 . . . . 0.60999999999999999 109.757 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.9 -39.94 93.73 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.362 -0.836 . . . . 0.79000000000000004 109.249 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -59.05 -43.75 91.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.989 -1.07 . . . . 2.27 109.566 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.22 -0.925 . . . . 1.46 109.052 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.24 -40.2 95.37 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.297 -1.001 . . . . 0.28000000000000003 108.297 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.65 -56.38 20.39 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.645 0.736 . . . . 0.82999999999999996 109.852 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.66 -39.78 89.66 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.53 -0.731 . . . . 2.1699999999999999 109.422 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -48.15 81.21 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.35 -0.844 . . . . 0.20999999999999999 109.397 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.432 ' O ' ' OD1' ' C' ' 34' ' ' ASP . 84.5 mt -64.39 -41.82 96.45 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.036 -1.04 . . . . 0.28999999999999998 109.505 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.37 -39.82 88.58 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.252 -0.905 . . . . 1.5600000000000001 109.451 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.74 HD11 HE22 ' D' ' 36' ' ' GLN . 21.5 tp -60.75 -47.95 84.0 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.153 -0.967 . . . . 0.68999999999999995 109.115 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -60.62 -40.45 91.93 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.312 -0.867 . . . . 1.3500000000000001 108.779 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' C' ' 30' ' ' LEU . 1.1 m-20 -59.84 -39.91 86.76 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.314 0.578 . . . . 1.24 109.66 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.53 95.7 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.239 -0.913 . . . . 0.65000000000000002 108.563 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.747 HE22 HD11 ' D' ' 32' ' ' LEU . 17.1 mt-30 -77.48 -29.95 52.9 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.242 -0.911 . . . . 2.2999999999999998 108.83 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -65.59 -29.75 70.39 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.132 -1.433 . . . . 1.0600000000000001 107.132 178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.17 6.12 4.39 Favored Glycine 0 N--CA 1.483 1.789 0 N-CA-C 108.437 -1.865 . . . . 1.77 108.437 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' C' ' 37' ' ' ALA . 19.8 tttm -78.92 136.77 37.36 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.255 -1.144 . . . . 3.7799999999999998 108.683 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -57.52 150.72 43.55 Favored Pre-proline 0 C--N 1.3 -1.567 0 O-C-N 121.619 -0.675 . . . . 5.7800000000000002 109.923 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.59 158.93 14.8 Favored 'Trans proline' 0 C--N 1.32 -0.926 0 N-CA-C 107.659 -1.708 . . . . 5.0199999999999996 107.659 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.401 0 N-CA-C 109.26 -1.536 . . . . 7.1200000000000001 109.26 -179.479 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.689 ' O ' ' N ' ' D' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 108.369 -0.974 . . . . 8.5099999999999998 108.369 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.616 ' HZ3' ' H2 ' ' D' ' 1' ' ' LYS . 1.3 mptp? 58.19 -39.35 0.05 Allowed 'General case' 0 N--CA 1.507 2.376 0 CA-C-O 121.216 0.532 . . . . 8.1600000000000001 110.306 178.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.689 ' N ' ' O ' ' D' ' 1' ' ' LYS . 7.1 mtmp? 54.76 151.54 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 N-CA-C 113.644 0.979 . . . . 8.5700000000000003 113.644 177.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -78.06 -170.58 0.99 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 N-CA-C 102.248 -3.789 . . . . 4.6799999999999997 102.248 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 63.1 mt -88.78 116.63 27.19 Favored 'General case' 0 C--N 1.287 -2.117 0 N-CA-C 106.406 -1.702 . . . . 5.3499999999999996 106.406 176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -69.82 160.73 31.22 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 107.869 -1.16 . . . . 3.4700000000000002 107.869 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.25 138.81 42.5 Favored Glycine 0 N--CA 1.483 1.784 0 N-CA-C 108.233 -1.947 . . . . 1.1000000000000001 108.233 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -52.81 132.02 36.15 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.406 -1.055 . . . . 1.8 108.361 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -89.55 144.21 26.2 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.528 -0.732 . . . . 0.56999999999999995 109.867 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.29 143.12 49.68 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.751 -0.833 . . . . 0.53000000000000003 108.751 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 73.6 p -94.56 153.46 17.87 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.896 -1.149 . . . . 0.23999999999999999 107.896 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.65 130.56 18.2 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.196 -0.94 . . . . 0.27000000000000002 109.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -82.29 127.51 33.28 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.255 -1.016 . . . . 0.91000000000000003 108.255 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.04 119.94 61.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.643 -0.873 . . . . 0.26000000000000001 108.643 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -77.35 148.33 35.66 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.766 -0.584 . . . . 2.25 109.469 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.04 115.59 0.35 Allowed Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.425 -1.07 . . . . 0.37 110.425 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -60.32 -39.89 88.67 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.511 -0.994 . . . . 2.6000000000000001 109.117 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.32 -46.43 86.19 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.599 -0.889 . . . . 2.1400000000000001 108.599 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.05 -39.91 87.63 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.627 -0.671 . . . . 1.99 109.263 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.14 -48.62 80.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.28000000000000003 109.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -59.37 -41.01 88.29 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.052 -1.03 . . . . 1.1799999999999999 108.321 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 46.9 ttp -63.54 -50.08 70.93 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.629 -0.669 . . . . 0.60999999999999999 109.75 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -61.81 -40.02 93.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.401 -0.812 . . . . 0.78000000000000003 109.25 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -58.98 -43.69 91.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.04 -1.037 . . . . 2.27 109.607 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.06 -46.93 87.93 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.135 -0.978 . . . . 1.4199999999999999 109.025 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.21 -40.25 95.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.261 -1.014 . . . . 0.29999999999999999 108.261 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -61.61 -56.38 20.48 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 121.565 0.698 . . . . 0.83999999999999997 109.902 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.5 -40.02 89.86 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.611 -0.681 . . . . 2.1699999999999999 109.394 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.17 -48.13 81.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.336 -0.853 . . . . 0.20000000000000001 109.385 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.433 ' O ' ' OD1' ' D' ' 34' ' ' ASP . 84.8 mt -64.2 -42.11 96.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.011 -1.056 . . . . 0.28999999999999998 109.438 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -60.05 -40.06 88.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.092 -1.005 . . . . 1.5700000000000001 109.546 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.747 HD11 HE22 ' C' ' 36' ' ' GLN . 21.7 tp -60.66 -48.02 83.64 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.325 -0.86 . . . . 0.69999999999999996 109.076 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -60.54 -40.49 91.75 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.249 -0.907 . . . . 1.3500000000000001 108.764 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' D' ' 30' ' ' LEU . 1.1 m-20 -59.81 -40.1 87.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.234 0.54 . . . . 1.26 109.576 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.6 95.63 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.263 -0.898 . . . . 0.58999999999999997 108.578 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.74 HE22 HD11 ' C' ' 32' ' ' LEU . 17.1 mt-30 -77.46 -30.01 53.01 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.277 -0.889 . . . . 2.2799999999999998 108.784 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -65.52 -29.78 70.46 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.153 -1.425 . . . . 1.03 107.153 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.15 6.07 4.41 Favored Glycine 0 N--CA 1.483 1.801 0 N-CA-C 108.411 -1.875 . . . . 1.74 108.411 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' D' ' 37' ' ' ALA . 19.8 tttm -78.86 137.28 37.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.29 -1.123 . . . . 3.7400000000000002 108.656 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -58.15 150.24 53.03 Favored Pre-proline 0 C--N 1.3 -1.576 0 O-C-N 121.703 -0.623 . . . . 5.75 109.99 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -56.21 158.95 13.71 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 N-CA-C 107.605 -1.729 . . . . 5.0700000000000003 107.605 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.424 0 N-CA-C 109.242 -1.543 . . . . 7.1699999999999999 109.242 -179.52 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.242 -0.651 . . . . 7.3300000000000001 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.8 mttp 51.88 42.03 29.84 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.432 -0.792 . . . . 7.21 110.019 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.9 tttp 51.19 72.32 1.26 Allowed Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 120.915 -1.116 . . . . 6.4699999999999998 109.183 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -60.4 -80.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 121.782 1.654 . . . . 4.5300000000000002 110.567 -179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 mt -77.33 114.61 16.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.906 -1.121 . . . . 4.3499999999999996 109.452 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -82.46 130.61 35.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.393 -0.817 . . . . 2.48 109.491 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' O ' ' CD2' ' A' ' 9' ' ' TYR . . . -69.3 139.88 32.95 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 108.434 -1.867 . . . . 0.97999999999999998 108.434 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -62.02 126.95 29.12 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.046 -1.267 . . . . 1.7 109.362 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 7' ' ' GLY . 98.3 m-85 -110.14 147.4 33.76 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.593 -0.692 . . . . 0.60999999999999999 109.421 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -138.1 137.08 37.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.366 -0.834 . . . . 0.57999999999999996 109.701 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.51 155.02 19.89 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.231 -0.918 . . . . 0.41999999999999998 109.067 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.1 tp -147.04 130.75 16.95 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.101 -0.999 . . . . 0.35999999999999999 109.247 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -84.01 127.1 33.65 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.747 -0.835 . . . . 1.3700000000000001 108.747 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.56 119.92 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.275 -0.891 . . . . 0.46999999999999997 109.264 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -77.72 145.28 36.65 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.47 -0.769 . . . . 2.1000000000000001 110.443 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.7 117.18 1.05 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 110.6 -1.0 . . . . 0.41999999999999998 110.6 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 17' ' ' ARG . 40.5 ttt-85 -65.33 -42.22 93.16 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.188 -1.183 . . . . 2.6800000000000002 109.296 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.65 -40.19 91.11 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.808 -1.182 . . . . 2.2200000000000002 107.946 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.484 HH22 ' CG ' ' C' ' 34' ' ' ASP . 38.0 ttm180 -61.85 -38.02 86.66 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.771 -0.826 . . . . 2.77 108.771 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.44 -45.24 92.15 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.018 -1.051 . . . . 0.42999999999999999 109.988 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.56 -40.79 88.46 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.115 -0.991 . . . . 1.6599999999999999 109.236 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -60.79 -49.66 76.58 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.704 -0.85 . . . . 0.44 108.704 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.71 -39.61 92.1 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.611 -0.885 . . . . 0.28999999999999998 108.611 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.81 -46.96 83.94 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 108.534 -0.913 . . . . 2.4399999999999999 108.534 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.24 -47.19 87.01 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.487 -0.758 . . . . 1.74 109.153 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.06 -45.55 94.29 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.191 -0.943 . . . . 0.29999999999999999 109.089 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -60.31 -49.73 76.45 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.339 -0.851 . . . . 1.22 109.343 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.2 -40.88 95.61 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 1.72 109.758 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.84 -50.2 74.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.92 . . . . 0.27000000000000002 110.11 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.37 -43.48 98.73 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.128 -0.983 . . . . 0.28999999999999998 109.474 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -40.78 90.07 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.071 -1.018 . . . . 1.9099999999999999 109.383 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.0 -46.15 90.42 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.128 -1.064 . . . . 0.40999999999999998 108.128 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.72 -40.48 92.45 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.514 -0.741 . . . . 1.5600000000000001 109.113 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -60.35 -40.45 90.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.39 -0.819 . . . . 1.4299999999999999 109.666 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.73 68.09 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.492 -0.755 . . . . 0.66000000000000003 109.312 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -73.8 -26.67 60.74 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.361 -0.837 . . . . 1.1799999999999999 109.211 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.89 -7.7 30.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.199 -0.938 . . . . 1.23 109.241 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.72 7.71 13.14 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.293 -1.523 . . . . 1.54 109.293 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -83.51 134.55 34.83 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.331 -1.099 . . . . 4.1799999999999997 109.408 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -57.42 148.97 51.91 Favored Pre-proline 0 C--N 1.304 -1.373 0 O-C-N 121.229 -0.919 . . . . 5.71 109.059 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.95 174.75 0.28 Allowed 'Trans proline' 0 C--N 1.323 -0.798 0 C-N-CA 121.012 1.142 . . . . 5.6100000000000003 109.7 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.395 -1.482 . . . . 7.2400000000000002 109.395 179.63 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 mttp . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.151 -0.685 . . . . 7.3399999999999999 109.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 52.56 41.88 31.25 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.541 -0.724 . . . . 7.1699999999999999 109.897 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 46.1 tttp 52.03 71.44 1.48 Allowed Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.059 -1.025 . . . . 6.4400000000000004 109.261 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -58.77 -81.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.046 0 C-N-CA 121.758 1.638 . . . . 4.54 110.653 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 47.9 mt -77.46 115.01 16.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.888 -1.133 . . . . 4.3200000000000003 109.451 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -81.97 130.1 34.98 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.384 -0.823 . . . . 2.4700000000000002 109.548 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.528 ' O ' ' CD2' ' B' ' 9' ' ' TYR . . . -69.31 140.06 33.22 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 108.784 -1.726 . . . . 0.94999999999999996 108.784 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.43 126.74 28.43 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.057 -1.261 . . . . 1.6100000000000001 109.247 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 7' ' ' GLY . 98.1 m-85 -110.41 146.16 36.35 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 109.299 -0.63 . . . . 0.56999999999999995 109.299 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -137.81 137.93 38.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.39 -0.819 . . . . 0.53000000000000003 109.543 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.5 p -89.38 155.13 19.54 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.392 -0.818 . . . . 0.38 109.069 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.34 130.52 16.46 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.039 -1.038 . . . . 0.35999999999999999 109.312 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -83.95 126.56 33.13 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.348 -0.845 . . . . 1.3600000000000001 108.801 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.16 120.16 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.231 0 O-C-N 121.491 -0.756 . . . . 0.48999999999999999 109.451 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -78.2 144.25 36.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.295 -0.878 . . . . 2.1000000000000001 110.466 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.58 115.92 1.14 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 110.714 -0.955 . . . . 0.44 110.714 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' B' ' 17' ' ' ARG . 39.5 ttt-85 -63.51 -42.91 98.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.186 -1.185 . . . . 2.7200000000000002 109.163 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.04 -40.94 91.15 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.794 -1.191 . . . . 2.21 107.964 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.48 HH22 ' CG ' ' D' ' 34' ' ' ASP . 38.6 ttm180 -60.67 -38.79 86.1 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.87 -0.789 . . . . 2.79 108.87 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -59.11 -45.39 91.02 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.397 -0.814 . . . . 0.45000000000000001 110.116 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.91 -40.78 90.0 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.017 -1.052 . . . . 1.6799999999999999 109.092 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.1 ttp -60.15 -50.07 75.14 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.837 -0.801 . . . . 0.42999999999999999 108.837 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.91 -39.49 92.19 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.824 -0.806 . . . . 0.28000000000000003 108.824 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -57.69 -46.92 83.69 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.412 -0.959 . . . . 2.52 108.412 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -59.89 -46.71 88.45 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 109.069 -0.715 . . . . 1.75 109.069 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -61.66 -46.31 90.29 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.188 -0.945 . . . . 0.31 109.178 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.0 -49.65 76.85 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.195 -0.94 . . . . 1.21 109.285 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.01 -40.33 93.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.137 -0.977 . . . . 1.6899999999999999 109.607 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -60.65 -50.9 71.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.269 -0.894 . . . . 0.27000000000000002 109.76 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.82 -43.5 98.72 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.061 -1.024 . . . . 0.29999999999999999 109.62 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -40.26 88.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.149 -0.969 . . . . 1.9299999999999999 109.533 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.41 -47.14 87.39 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.998 -1.112 . . . . 0.40000000000000002 107.998 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.23 -40.69 91.08 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.376 -0.828 . . . . 1.5900000000000001 108.952 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -60.05 -40.84 90.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.401 -0.812 . . . . 1.4299999999999999 109.566 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.94 67.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.548 -0.72 . . . . 0.65000000000000002 109.34 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -74.02 -26.61 60.52 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.938 . . . . 1.1899999999999999 109.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.07 -8.87 41.61 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.198 -0.939 . . . . 1.22 109.188 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.16 6.85 9.1 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.159 -1.577 . . . . 1.53 109.159 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -82.65 134.47 35.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.358 -1.084 . . . . 4.21 109.268 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -57.82 148.61 57.69 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 5.6799999999999997 109.278 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.18 174.35 0.23 Allowed 'Trans proline' 0 C--N 1.324 -0.729 0 C-N-CA 120.948 1.098 . . . . 5.5700000000000003 109.682 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.015 -1.436 . . . . 7.2000000000000002 109.582 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.392 0.615 . . . . 8.9600000000000009 109.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 51.52 42.53 29.53 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.255 -0.903 . . . . 8.1500000000000004 110.229 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 51.23 73.07 1.04 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.029 -1.044 . . . . 7.1500000000000004 109.064 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -60.79 -79.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.321 -0.871 0 C-N-CA 121.839 1.693 . . . . 4.3499999999999996 110.448 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 52.5 mt -77.87 114.74 17.02 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.896 -1.128 . . . . 4.6299999999999999 109.434 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -82.12 130.46 35.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.362 -0.836 . . . . 2.8500000000000001 109.459 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . 0.53 ' O ' ' CD2' ' C' ' 9' ' ' TYR . . . -69.31 139.65 32.55 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.589 -1.805 . . . . 1.1200000000000001 108.589 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -61.81 127.35 30.99 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.82 -1.4 . . . . 2.1099999999999999 109.412 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' C' ' 7' ' ' GLY . 98.3 m-85 -110.98 145.75 37.86 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 0.64000000000000001 109.261 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -136.83 136.91 39.18 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.405 -0.809 . . . . 0.48999999999999999 109.38 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 69.4 p -88.48 154.85 20.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.357 -0.839 . . . . 0.46999999999999997 108.947 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 59.2 tp -147.04 131.15 17.32 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.267 -0.895 . . . . 0.41999999999999998 109.185 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.46 127.25 33.92 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.286 -0.884 . . . . 1.8100000000000001 109.06 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.19 120.07 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.34 -0.85 . . . . 0.41999999999999998 109.583 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.59 144.2 35.73 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.373 -0.829 . . . . 2.3500000000000001 110.282 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.57 116.27 1.16 Allowed Glycine 0 N--CA 1.501 2.97 0 N-CA-C 110.647 -0.981 . . . . 0.40999999999999998 110.647 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' C' ' 17' ' ' ARG . 41.1 ttt-85 -63.65 -42.98 98.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.271 -1.135 . . . . 2.5899999999999999 109.258 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.14 -41.48 92.79 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 107.707 -1.22 . . . . 2.54 107.707 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -60.01 -38.43 82.61 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.772 -0.825 . . . . 3.3900000000000001 108.772 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -59.74 -45.36 92.44 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.327 -0.858 . . . . 0.46999999999999997 110.41 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -40.55 89.51 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.051 -1.031 . . . . 1.6599999999999999 109.145 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.68 -49.98 75.32 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.737 -0.838 . . . . 0.60999999999999999 108.737 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -61.36 -39.91 92.34 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.86 -0.793 . . . . 0.33000000000000002 108.86 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -57.27 -47.71 80.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.519 -0.919 . . . . 3.2799999999999998 108.519 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.94 -47.36 86.13 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.613 -0.679 . . . . 1.78 109.264 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.68 -46.54 89.98 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.161 -0.962 . . . . 0.38 109.143 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.509 -0.744 . . . . 1.2 109.279 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.42 -41.36 93.82 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.24 -0.912 . . . . 2.1200000000000001 109.718 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.29 -50.15 74.78 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.33 -0.857 . . . . 0.26000000000000001 109.955 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.15 -43.36 99.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.08 -1.012 . . . . 0.40000000000000002 109.34 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.03 -40.96 91.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.036 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -59.87 -46.75 88.33 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.942 -1.099 . . . . 0.75 108.376 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -60.45 -40.57 91.67 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.444 -0.785 . . . . 2.1899999999999999 109.066 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.484 ' CG ' HH22 ' A' ' 19' ' ' ARG . 81.7 m-20 -59.99 -41.21 91.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.521 -0.737 . . . . 1.3400000000000001 109.246 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -26.6 67.47 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.417 -0.802 . . . . 0.71999999999999997 109.496 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -74.64 -25.19 59.05 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.29 -0.881 . . . . 1.8 109.271 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.87 -8.23 42.04 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.141 -0.975 . . . . 1.3899999999999999 109.256 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.84 7.05 10.0 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.303 -1.519 . . . . 1.6599999999999999 109.303 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -82.71 134.98 35.13 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.222 -1.163 . . . . 4.4500000000000002 109.311 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.86 148.94 56.66 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.412 -0.805 . . . . 6.1900000000000004 109.142 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.49 170.95 0.72 Allowed 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 121.224 1.283 . . . . 5.5800000000000001 109.748 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.162 0 N-CA-C 109.531 -1.427 . . . . 6.9000000000000004 109.531 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 mttp . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.217 -0.66 . . . . 7.3600000000000003 109.217 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 61.5 mttp 52.55 42.48 31.42 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 7.1500000000000004 109.941 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 tttp 51.38 72.93 1.07 Allowed Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 120.995 -1.065 . . . . 6.5 109.083 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.56 -80.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 121.684 1.59 . . . . 4.5 110.703 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 54.8 mt -77.89 114.49 16.81 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.84 -1.163 . . . . 4.3200000000000003 109.113 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -82.45 131.03 35.22 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.264 -0.897 . . . . 2.46 109.312 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' D' ' 9' ' ' TYR . . . -69.7 140.09 32.69 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 108.726 -1.749 . . . . 0.96999999999999997 108.726 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -61.81 126.81 28.67 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 120.904 -1.35 . . . . 1.6699999999999999 109.577 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' D' ' 7' ' ' GLY . 98.4 m-85 -110.47 146.73 35.42 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.578 -0.701 . . . . 0.60999999999999999 109.261 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -138.07 136.71 37.07 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.43 -0.794 . . . . 0.56000000000000005 109.878 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 68.4 p -88.5 154.9 19.98 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.099 -1.001 . . . . 0.42999999999999999 109.003 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -146.54 130.17 16.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.094 -1.004 . . . . 0.34999999999999998 109.078 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -83.69 126.5 32.95 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.237 -0.915 . . . . 1.3700000000000001 108.808 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.2 mt -120.06 120.14 62.17 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.419 -0.801 . . . . 0.47999999999999998 109.518 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -78.49 143.91 36.19 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.445 -0.784 . . . . 2.0800000000000001 110.449 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.51 115.84 1.32 Allowed Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.661 -0.976 . . . . 0.40000000000000002 110.661 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' D' ' 17' ' ' ARG . 40.9 ttt-85 -64.08 -43.11 96.39 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.175 -1.191 . . . . 2.6400000000000001 109.255 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.08 -40.17 88.63 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 120.558 -1.339 . . . . 2.2200000000000002 107.937 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.86 -38.4 88.13 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 108.414 -0.958 . . . . 2.7400000000000002 108.414 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -59.18 -45.39 91.15 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.298 -0.876 . . . . 0.42999999999999999 110.03 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.8 -41.13 90.5 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.951 -1.093 . . . . 1.6899999999999999 109.193 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.3 ttp -60.04 -49.65 76.8 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.812 -0.81 . . . . 0.42999999999999999 108.812 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -61.92 -39.59 92.58 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.27000000000000002 108.856 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -57.75 -47.07 83.52 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.3 -1.0 . . . . 2.4500000000000002 108.3 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.12 -46.58 89.14 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.477 -0.765 . . . . 1.75 109.186 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.47 -45.89 92.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.326 -0.859 . . . . 0.31 108.952 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -60.24 -49.59 77.03 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.518 -0.739 . . . . 1.22 109.276 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -61.22 -40.81 95.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.872 . . . . 1.73 109.784 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.33 -51.06 71.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.387 -0.821 . . . . 0.28000000000000003 109.589 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.03 -43.09 99.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.087 -1.008 . . . . 0.31 109.714 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.17 -40.27 89.37 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.922 -1.112 . . . . 1.9099999999999999 109.421 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.32 -47.21 86.99 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.009 -1.108 . . . . 0.42999999999999999 108.009 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.04 -40.64 90.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.42 -0.8 . . . . 1.5700000000000001 109.109 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.48 ' CG ' HH22 ' B' ' 19' ' ' ARG . 84.3 m-20 -60.01 -40.32 88.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.209 -0.932 . . . . 1.4399999999999999 109.795 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -26.45 66.58 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.283 -0.885 . . . . 0.64000000000000001 109.415 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -73.54 -27.0 61.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.135 -0.691 . . . . 1.21 109.135 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -68.3 -8.63 41.31 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 1.22 109.363 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.84 7.24 7.56 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.16 -1.576 . . . . 1.5 109.16 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' D' ' 37' ' ' ALA . 87.3 tttt -83.35 136.5 34.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.21 -1.171 . . . . 4.1799999999999997 109.364 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.77 148.64 75.17 Favored Pre-proline 0 N--CA 1.488 1.431 0 O-C-N 121.258 -0.901 . . . . 5.6699999999999999 109.179 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -56.19 173.29 0.46 Allowed 'Trans proline' 0 C--N 1.321 -0.879 0 C-N-CA 120.906 1.071 . . . . 5.6500000000000004 109.853 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 109.642 -1.383 . . . . 7.2699999999999996 109.642 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.414 -0.587 . . . . 7.3300000000000001 109.414 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt 50.86 90.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 7.21 109.462 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 49.84 67.86 4.02 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.278 -0.889 . . . . 6.4699999999999998 109.615 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -60.51 164.61 12.84 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 C-N-CA 121.468 1.446 . . . . 4.5300000000000002 109.686 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.76 133.37 36.32 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.25 -0.906 . . . . 4.3499999999999996 109.335 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -82.73 1.49 38.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.891 . . . . 2.48 109.724 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.92 136.41 35.54 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.613 -1.395 . . . . 0.97999999999999998 109.613 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.69 139.99 57.66 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.41 -1.053 . . . . 1.7 109.711 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -97.09 147.06 24.42 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.331 -0.855 . . . . 0.60999999999999999 109.536 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -135.71 138.91 43.22 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.35 -0.844 . . . . 0.57999999999999996 109.419 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -89.5 154.34 20.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.17 -0.956 . . . . 0.41999999999999998 108.985 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.83 133.81 21.4 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.158 -0.964 . . . . 0.35999999999999999 109.423 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.444 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.8 tt0 -84.88 127.76 34.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.313 -0.867 . . . . 1.3700000000000001 108.876 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 120.07 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.419 -0.8 . . . . 0.46999999999999997 109.514 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.64 36.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.257 -0.902 . . . . 2.1000000000000001 110.082 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.38 123.25 0.62 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.487 -1.045 . . . . 0.41999999999999998 110.487 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -65.63 -41.58 92.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.397 -1.061 . . . . 2.6800000000000002 109.241 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.52 94.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.355 -0.84 . . . . 2.2200000000000002 109.279 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.4 ttm180 -60.76 -40.55 92.92 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.234 -0.916 . . . . 2.77 108.883 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.92 -47.98 83.56 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.34 -0.85 . . . . 0.42999999999999999 109.046 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.9 -40.7 89.68 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.976 -1.12 . . . . 1.6599999999999999 107.976 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 30.8 ttp -63.2 -50.13 71.51 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.501 -0.749 . . . . 0.44 109.176 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.57 -39.98 93.11 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.655 -0.868 . . . . 0.28999999999999998 108.655 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -56.21 -47.73 77.82 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.316 -0.994 . . . . 2.4399999999999999 108.316 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.18 -46.74 88.66 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.391 -0.818 . . . . 1.74 108.913 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.92 -45.6 92.98 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.162 -0.961 . . . . 0.29999999999999999 109.207 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -60.06 -50.03 75.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.463 -0.773 . . . . 1.22 109.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.54 -40.03 93.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.35 -0.844 . . . . 1.72 109.863 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.96 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.213 -0.929 . . . . 0.27000000000000002 109.621 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.01 -44.65 96.27 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 109.354 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.98 94.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.938 . . . . 1.9099999999999999 109.318 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.32 -49.94 75.58 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.239 -0.913 . . . . 0.40999999999999998 109.059 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.31 -41.05 92.64 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.515 -0.741 . . . . 1.5600000000000001 109.559 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.545 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 97.5 m-20 -60.05 -40.2 88.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.303 -0.873 . . . . 1.4299999999999999 109.596 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.12 97.79 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.322 -0.861 . . . . 0.66000000000000003 109.656 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -83.04 -10.2 58.86 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.09 -1.006 . . . . 1.1799999999999999 109.495 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.07 79.27 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.337 -0.852 . . . . 1.23 109.442 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.99 79.92 1.87 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.657 -1.377 . . . . 1.54 109.657 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.39 126.38 34.83 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.189 -1.183 . . . . 4.1799999999999997 108.949 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.14 149.96 43.53 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.106 -0.996 . . . . 5.71 108.942 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.45 149.21 48.39 Favored 'Trans proline' 0 C--N 1.324 -0.763 0 C-N-CA 121.023 1.149 . . . . 5.6100000000000003 109.732 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 109.32 -1.512 . . . . 7.2400000000000002 109.32 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 109.42 -0.585 . . . . 7.3399999999999999 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt 50.7 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.118 -0.988 . . . . 7.1699999999999999 109.477 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 48.5 tttm 49.92 67.86 4.01 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 6.4400000000000004 109.627 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -60.91 164.34 14.27 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 121.47 1.447 . . . . 4.54 109.848 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.61 133.27 36.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.32 -0.863 . . . . 4.3200000000000003 109.22 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.56 -0.12 45.31 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.268 -0.895 . . . . 2.4700000000000002 109.595 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.97 136.77 43.6 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.661 -1.376 . . . . 0.94999999999999996 109.661 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.96 140.02 58.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.402 -1.058 . . . . 1.6100000000000001 109.563 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.452 ' CB ' HE21 ' D' ' 13' ' ' GLN . 89.9 m-85 -96.7 147.79 23.54 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.313 -0.867 . . . . 0.56999999999999995 109.576 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.54 139.45 42.23 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.315 -0.866 . . . . 0.53000000000000003 109.47 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 61.7 p -89.78 154.42 19.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.219 -0.925 . . . . 0.38 108.915 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.5 tp -146.24 134.01 21.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.204 -0.935 . . . . 0.35999999999999999 109.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.475 HE21 ' CB ' ' D' ' 9' ' ' TYR . 61.6 tt0 -85.24 127.83 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 1.3600000000000001 108.812 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.98 119.98 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.099 0 O-C-N 121.365 -0.834 . . . . 0.48999999999999999 109.47 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.46 149.65 36.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.343 -0.848 . . . . 2.1000000000000001 109.969 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.49 123.68 0.65 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.367 -1.093 . . . . 0.44 110.367 178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -66.37 -41.43 89.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.325 -1.103 . . . . 2.7200000000000002 109.162 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.14 93.76 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.335 -0.853 . . . . 2.21 109.183 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.7 ttm180 -61.34 -40.22 93.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.275 -0.891 . . . . 2.79 108.844 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.92 -48.21 82.63 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.354 -0.841 . . . . 0.45000000000000001 109.019 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.7 89.2 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.279 -1.008 . . . . 1.6799999999999999 108.279 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 32.7 ttp -63.42 -49.91 71.87 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.385 -0.822 . . . . 0.42999999999999999 109.03 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.55 -39.97 93.0 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.386 -0.821 . . . . 0.28000000000000003 108.815 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -56.52 -47.75 78.7 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.392 -0.966 . . . . 2.52 108.392 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.03 -46.57 89.09 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.397 -0.815 . . . . 1.75 108.933 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.02 -45.51 93.27 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.23 -0.919 . . . . 0.31 109.159 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.1 -49.98 75.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.406 -0.809 . . . . 1.21 109.567 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.88 -39.9 93.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.858 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.656 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.95 -50.07 75.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.215 -0.928 . . . . 0.27000000000000002 109.623 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.59 -45.25 94.93 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 0.29999999999999999 109.201 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.58 92.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9299999999999999 109.557 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.873 . . . . 0.40000000000000002 109.095 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -60.14 -41.32 92.45 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.414 -0.804 . . . . 1.5900000000000001 109.452 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.537 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.8 m-20 -60.12 -39.92 87.93 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.127 -0.983 . . . . 1.4299999999999999 109.45 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.73 96.96 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.65000000000000002 109.633 -179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -82.6 -10.23 59.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.027 -1.046 . . . . 1.1899999999999999 109.604 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.03 -39.98 78.88 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.075 -1.016 . . . . 1.22 109.357 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.58 79.47 1.89 Allowed Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.72 -1.352 . . . . 1.53 109.72 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -87.28 126.78 35.05 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.116 -1.226 . . . . 4.21 108.96 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.3 149.95 45.37 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.171 -0.955 . . . . 5.6799999999999997 108.844 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.97 149.91 49.66 Favored 'Trans proline' 0 C--N 1.322 -0.863 0 C-N-CA 120.894 1.062 . . . . 5.5700000000000003 109.819 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 118.009 -1.439 . . . . 7.2000000000000002 109.654 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.469 -0.567 . . . . 8.9600000000000009 109.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 50.97 90.81 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.224 -0.923 . . . . 8.1500000000000004 109.449 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 48.1 tttm 49.9 68.05 3.83 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.177 -0.952 . . . . 7.1500000000000004 109.662 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -60.92 164.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 121.565 1.51 . . . . 4.3499999999999996 109.887 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 88.0 mt -79.28 133.15 36.65 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.367 -0.833 . . . . 4.6299999999999999 109.442 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.64 0.94 40.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.375 -0.828 . . . . 2.8500000000000001 109.631 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.97 136.38 37.92 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.676 -1.37 . . . . 1.1200000000000001 109.676 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.28 139.95 58.06 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.355 -1.085 . . . . 2.1099999999999999 109.721 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . 0.444 ' CB ' HE21 ' A' ' 13' ' ' GLN . 89.7 m-85 -96.84 147.46 23.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.231 -0.918 . . . . 0.64000000000000001 109.582 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.14 139.43 42.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.368 -0.833 . . . . 0.48999999999999999 109.466 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 62.9 p -89.86 153.93 20.27 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.195 -0.941 . . . . 0.46999999999999997 108.977 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -145.73 133.8 21.5 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.14 -0.975 . . . . 0.41999999999999998 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.85 127.9 34.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.391 -0.818 . . . . 1.8100000000000001 108.793 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 120.13 62.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 O-C-N 121.437 -0.79 . . . . 0.41999999999999998 109.399 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.37 150.02 36.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.382 -0.823 . . . . 2.3500000000000001 109.932 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.83 123.26 0.55 Allowed Glycine 0 N--CA 1.492 2.411 0 N-CA-C 110.578 -1.009 . . . . 0.40999999999999998 110.578 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -65.71 -41.8 91.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.389 -1.065 . . . . 2.5899999999999999 109.38 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -42.49 94.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.255 -0.903 . . . . 2.54 109.119 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.545 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 43.7 ttm180 -61.08 -40.38 93.46 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.238 -0.914 . . . . 3.3900000000000001 108.724 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.11 -48.0 83.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.365 -0.834 . . . . 0.46999999999999997 108.837 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.95 -40.62 89.61 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.239 -1.023 . . . . 1.6599999999999999 108.239 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.2 ttp -63.3 -50.08 71.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.447 -0.783 . . . . 0.60999999999999999 109.079 179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.44 -39.95 92.68 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.92 -0.77 . . . . 0.33000000000000002 108.92 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.57 -47.66 79.02 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.425 -0.954 . . . . 3.2799999999999998 108.425 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.11 -46.95 87.9 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.376 -0.828 . . . . 1.78 108.793 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.71 -45.6 93.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.277 -0.889 . . . . 0.38 109.166 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -60.03 -49.99 75.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.386 -0.821 . . . . 1.2 109.545 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.69 -39.99 93.42 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.403 -0.81 . . . . 2.1200000000000001 109.974 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.01 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.373 -0.829 . . . . 0.26000000000000001 109.606 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.85 -44.89 95.91 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.025 -1.047 . . . . 0.40000000000000002 109.225 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.19 -41.2 92.43 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.234 -0.916 . . . . 2.0899999999999999 109.465 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.24 -49.89 75.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.332 -0.855 . . . . 0.75 109.173 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.5 -41.13 93.69 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.469 -0.769 . . . . 2.1899999999999999 109.494 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.1 m-20 -60.05 -39.89 87.52 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.389 -0.819 . . . . 1.3400000000000001 109.522 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.49 97.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.265 -0.897 . . . . 0.71999999999999997 109.648 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -82.76 -9.98 59.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.006 -1.059 . . . . 1.8 109.496 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.97 78.81 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.094 -1.004 . . . . 1.3899999999999999 109.377 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.83 80.33 1.82 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.707 -1.357 . . . . 1.6599999999999999 109.707 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -87.45 126.34 34.83 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.133 -1.216 . . . . 4.4500000000000002 108.899 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -57.42 149.72 47.86 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.226 -0.921 . . . . 6.1900000000000004 108.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.94 147.6 62.04 Favored 'Trans proline' 0 C--N 1.323 -0.815 0 C-N-CA 121.05 1.167 . . . . 5.5800000000000001 109.89 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.517 -1.433 . . . . 6.9000000000000004 109.517 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.515 -0.55 . . . . 7.3600000000000003 109.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 51.2 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.052 -1.03 . . . . 7.1500000000000004 109.463 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 49.3 tttm 49.86 67.82 4.05 Favored Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 121.136 -0.978 . . . . 6.5 109.723 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -60.88 164.39 14.09 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 C-N-CA 121.432 1.421 . . . . 4.5 109.923 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.57 133.37 36.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.911 . . . . 4.3200000000000003 109.253 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -82.66 1.14 39.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.309 -0.869 . . . . 2.46 109.656 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.96 136.56 38.03 Favored Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.679 -1.368 . . . . 0.96999999999999997 109.679 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.43 140.05 58.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.41 -1.053 . . . . 1.6699999999999999 109.607 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.475 ' CB ' HE21 ' B' ' 13' ' ' GLN . 90.5 m-85 -96.98 147.55 23.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.212 -0.93 . . . . 0.60999999999999999 109.487 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -136.12 139.61 43.08 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.275 -0.89 . . . . 0.56000000000000005 109.477 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 63.4 p -89.61 154.81 19.68 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.188 -0.945 . . . . 0.42999999999999999 108.914 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -146.54 132.86 19.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.068 -1.02 . . . . 0.34999999999999998 109.516 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . 0.452 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.7 tt0 -84.25 127.76 34.15 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 108.724 -0.843 . . . . 1.3700000000000001 108.724 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.11 119.94 61.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.363 -0.836 . . . . 0.47999999999999998 109.485 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.44 149.58 36.82 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.354 -0.841 . . . . 2.0800000000000001 110.069 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.45 124.01 0.66 Allowed Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.301 -1.12 . . . . 0.40000000000000002 110.301 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.66 -40.93 88.85 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.261 -1.141 . . . . 2.6400000000000001 109.121 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.79 95.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.354 -0.841 . . . . 2.2200000000000002 109.14 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.537 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.4 ttm180 -60.84 -40.22 92.02 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.281 -0.887 . . . . 2.7400000000000002 108.892 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -60.07 -47.91 83.89 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.008 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -59.94 -40.4 88.84 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.199 -1.037 . . . . 1.6899999999999999 108.199 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 32.1 ttp -63.64 -50.0 71.04 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.22 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.39 -39.9 92.4 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.821 -0.807 . . . . 0.27000000000000002 108.821 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -56.41 -47.58 78.73 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.307 -0.997 . . . . 2.4500000000000002 108.307 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.22 -46.43 89.78 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.491 -0.756 . . . . 1.75 108.963 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.23 -45.87 91.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.254 -0.904 . . . . 0.31 109.107 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.98 -49.91 75.82 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.386 -0.821 . . . . 1.22 109.536 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -40.0 93.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.333 -0.854 . . . . 1.73 109.909 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.705 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.97 -50.05 75.28 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.129 -0.982 . . . . 0.28000000000000003 109.57 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.58 -45.4 94.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.138 -0.976 . . . . 0.31 109.267 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.09 -41.36 92.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 1.9099999999999999 109.372 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.08 -49.84 76.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.272 -0.893 . . . . 0.42999999999999999 109.024 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.25 -41.16 92.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.43 -0.794 . . . . 1.5700000000000001 109.4 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.01 -40.09 88.05 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.353 -0.842 . . . . 1.4399999999999999 109.595 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.38 97.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.267 -0.895 . . . . 0.64000000000000001 109.617 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -82.83 -10.05 59.03 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.123 -0.985 . . . . 1.21 109.466 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.93 78.03 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 1.22 109.364 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.63 79.58 1.88 Allowed Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.566 -1.413 . . . . 1.5 109.566 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -87.12 128.48 35.12 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.261 -1.14 . . . . 4.1799999999999997 108.829 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -59.88 150.02 70.53 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.071 -1.018 . . . . 5.6699999999999999 108.709 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -55.37 148.48 51.36 Favored 'Trans proline' 0 C--N 1.323 -0.804 0 C-N-CA 120.991 1.127 . . . . 5.6500000000000004 109.614 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.245 0 CA-C-O 117.896 -1.502 . . . . 7.2699999999999996 109.389 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 3' ' ' LYS . 47.2 mtmt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.137 -0.69 . . . . 7.3300000000000001 109.137 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' O ' ' O ' ' A' ' 3' ' ' LYS . 62.3 tttm 63.41 -50.37 0.23 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.96 -0.462 . . . . 7.21 110.215 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 1' ' ' LYS . 23.5 mtmt 59.85 149.13 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.336 -0.852 . . . . 6.4699999999999998 109.286 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.57 -83.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.734 0 N-CA-C 109.45 -1.019 . . . . 4.5300000000000002 109.45 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.8 121.95 29.18 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.194 -0.942 . . . . 4.3499999999999996 109.348 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -81.75 127.04 32.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 2.48 109.491 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' O ' ' CE1' ' A' ' 9' ' ' TYR . . . -69.55 139.97 32.72 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 108.983 -1.647 . . . . 0.97999999999999998 108.983 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.04 133.93 56.56 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.105 -1.233 . . . . 1.7 109.138 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 95.7 m-85 -109.27 142.65 39.83 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.598 -0.689 . . . . 0.60999999999999999 109.278 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -133.99 140.46 46.73 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.271 -0.893 . . . . 0.57999999999999996 109.698 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.28 155.56 19.66 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.243 -0.911 . . . . 0.41999999999999998 109.195 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.92 130.04 16.45 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.056 -1.027 . . . . 0.35999999999999999 109.352 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.96 128.32 34.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 1.3700000000000001 108.978 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.0 119.97 61.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 121.307 -0.871 . . . . 0.46999999999999997 109.648 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.5 ttt-85 -76.98 145.0 38.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.327 -0.858 . . . . 2.1000000000000001 109.912 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.76 112.72 1.86 Allowed Glycine 0 N--CA 1.499 2.833 0 N-CA-C 110.409 -1.076 . . . . 0.41999999999999998 110.409 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -60.07 -49.37 77.91 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.355 -1.085 . . . . 2.6800000000000002 109.284 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.04 -39.96 87.73 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.236 -0.915 . . . . 2.2200000000000002 108.698 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.614 ' NH1' HD22 ' C' ' 30' ' ' LEU . 10.2 tpp180 -60.15 -38.69 83.89 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.491 -0.756 . . . . 2.77 109.467 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.04 -42.84 86.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.326 -0.858 . . . . 0.42999999999999999 109.513 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.98 -39.59 86.22 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.165 -0.96 . . . . 1.6599999999999999 108.594 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.6 ttp -59.95 -50.85 72.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.464 -0.773 . . . . 0.44 109.69 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -62.99 -40.09 96.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.176 -0.952 . . . . 0.28999999999999998 109.29 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -52.97 -48.78 67.17 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.337 -0.852 . . . . 2.4399999999999999 109.273 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.431 ' CD ' HH12 ' D' ' 19' ' ' ARG . 84.4 tt0 -60.01 -47.26 86.57 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.11 -0.994 . . . . 1.74 109.359 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.27 -46.2 89.88 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.139 -0.975 . . . . 0.29999999999999999 108.916 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.85 -50.16 74.89 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.364 -0.835 . . . . 1.22 109.618 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 -40.0 87.49 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.397 -0.815 . . . . 1.72 109.774 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.561 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.0 -47.72 82.18 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.127 -0.983 . . . . 0.27000000000000002 109.317 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' NH1' ' C' ' 19' ' ' ARG . 86.3 mt -61.26 -41.86 97.65 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.068 -1.02 . . . . 0.28999999999999998 109.288 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.38 -41.01 92.87 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.191 -0.943 . . . . 1.9099999999999999 109.179 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.18 -49.98 75.48 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.40999999999999998 109.568 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.27 -40.2 95.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 1.5600000000000001 109.443 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -60.12 -39.93 87.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.458 -0.776 . . . . 1.4299999999999999 109.406 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.15 95.68 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.372 -0.83 . . . . 0.66000000000000003 109.282 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -72.42 -40.05 67.41 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.199 -0.938 . . . . 1.1799999999999999 109.341 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.53 -10.06 59.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.393 -0.817 . . . . 1.23 109.617 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.85 9.02 6.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.208 -1.157 . . . . 1.54 110.208 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -86.7 111.9 21.13 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.967 -1.313 . . . . 4.1799999999999997 109.515 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' C ' ' H ' ' A' ' 42' ' ' GLY . 51.7 mm-40 -60.08 150.04 72.05 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.384 -0.823 . . . . 5.71 109.122 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -60.0 3.92 0.2 Allowed 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 120.89 1.06 . . . . 5.6100000000000003 109.931 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.588 -1.405 . . . . 7.2400000000000002 109.588 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.551 ' O ' ' N ' ' B' ' 3' ' ' LYS . 47.8 mtmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.318 -0.623 . . . . 7.3399999999999999 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' B' ' 3' ' ' LYS . 63.6 tttm 63.15 -50.07 0.21 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 122.065 -0.397 . . . . 7.1699999999999999 110.095 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.551 ' N ' ' O ' ' B' ' 1' ' ' LYS . 23.5 mtmt 60.11 149.83 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.295 -0.878 . . . . 6.4400000000000004 109.236 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.96 -83.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.324 -0.722 0 N-CA-C 109.49 -1.004 . . . . 4.54 109.49 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.03 121.19 28.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.109 -0.994 . . . . 4.3200000000000003 109.415 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.65 129.26 34.41 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.228 -0.92 . . . . 2.4700000000000002 109.419 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -71.53 141.26 31.91 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 108.734 -1.747 . . . . 0.94999999999999996 108.734 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 100.0 mt-10 -61.15 134.68 57.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.994 -1.298 . . . . 1.6100000000000001 109.309 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 96.0 m-85 -109.69 142.92 40.18 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 109.206 -0.664 . . . . 0.56999999999999995 109.206 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -134.17 140.84 46.8 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.303 -0.873 . . . . 0.53000000000000003 109.686 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.8 p -88.74 154.77 20.02 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.328 -0.858 . . . . 0.38 109.268 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -146.27 129.98 17.07 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.062 -1.024 . . . . 0.35999999999999999 109.346 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -85.85 128.21 34.76 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.299 -0.876 . . . . 1.3600000000000001 109.014 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.4 mt -120.08 120.06 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.389 -0.82 . . . . 0.48999999999999999 109.531 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -76.92 145.08 38.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.516 -0.74 . . . . 2.1000000000000001 109.923 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.68 112.66 1.83 Allowed Glycine 0 N--CA 1.498 2.793 0 N-CA-C 110.425 -1.07 . . . . 0.44 110.425 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -59.98 -49.49 77.48 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.376 -1.073 . . . . 2.7200000000000002 109.436 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.07 -39.95 87.83 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.643 -0.873 . . . . 2.21 108.643 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.642 ' NH1' HD22 ' D' ' 30' ' ' LEU . 9.9 tpp180 -60.02 -39.64 86.54 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.659 -0.651 . . . . 2.79 109.337 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -57.32 -42.91 82.74 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.45000000000000001 109.466 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.92 -39.31 85.02 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.659 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 39.5 ttp -59.94 -50.8 72.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.382 -0.823 . . . . 0.42999999999999999 109.762 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -63.05 -40.05 96.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.28000000000000003 109.334 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -53.19 -48.66 67.89 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.337 -0.852 . . . . 2.52 109.364 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.521 ' CD ' HH12 ' C' ' 19' ' ' ARG . 83.7 tt0 -60.08 -47.52 85.53 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.13 -0.981 . . . . 1.75 109.194 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.97 -46.31 89.82 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.145 -0.972 . . . . 0.31 108.978 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -60.05 -49.83 76.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.433 -0.792 . . . . 1.21 109.551 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.04 -39.76 87.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.351 -0.843 . . . . 1.6899999999999999 109.914 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.561 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.49 -47.14 85.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.27000000000000002 109.352 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.606 HD22 ' NH1' ' D' ' 19' ' ' ARG . 88.6 mt -61.61 -41.75 97.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.098 -1.001 . . . . 0.29999999999999999 109.238 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.25 -41.3 92.9 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.213 -0.929 . . . . 1.9299999999999999 109.436 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.27 -49.88 75.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.322 -0.861 . . . . 0.40000000000000002 109.485 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -64.33 -40.12 95.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.305 -0.872 . . . . 1.5900000000000001 109.353 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.07 -39.99 87.94 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.261 -0.9 . . . . 1.4299999999999999 109.388 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.01 94.76 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.298 -0.876 . . . . 0.65000000000000002 109.349 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.97 -40.02 65.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.967 . . . . 1.1899999999999999 109.473 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.91 59.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.389 -0.819 . . . . 1.22 109.58 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.07 8.96 7.37 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 110.139 -1.185 . . . . 1.53 110.139 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -86.54 111.98 21.11 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.95 -1.323 . . . . 4.21 109.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.521 ' C ' ' H ' ' B' ' 42' ' ' GLY . 55.3 mm-40 -60.12 150.06 72.3 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.43 -0.794 . . . . 5.6799999999999997 108.978 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -59.81 3.43 0.22 Allowed 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 120.854 1.036 . . . . 5.5700000000000003 110.016 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' B' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.371 0 CA-C-O 118.023 -1.432 . . . . 7.2000000000000002 109.635 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.565 ' O ' ' N ' ' C' ' 3' ' ' LYS . 47.4 mtmt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.406 -0.59 . . . . 8.9600000000000009 109.406 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' C' ' 3' ' ' LYS . 63.0 tttm 63.01 -49.9 0.2 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 122.188 -0.32 . . . . 8.1500000000000004 110.195 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.565 ' N ' ' O ' ' C' ' 1' ' ' LYS . 23.8 mtmt 59.81 149.69 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.227 -0.92 . . . . 7.1500000000000004 109.297 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -58.93 -84.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.323 -0.795 0 N-CA-C 109.349 -1.058 . . . . 4.3499999999999996 109.349 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 76.3 mt -84.82 122.03 28.56 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.131 -0.98 . . . . 4.6299999999999999 109.267 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -81.76 127.9 33.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 2.8500000000000001 109.191 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . 0.497 ' O ' ' CE1' ' C' ' 9' ' ' TYR . . . -70.55 140.34 31.8 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 108.89 -1.684 . . . . 1.1200000000000001 108.89 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.0 134.22 56.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.031 -1.276 . . . . 2.1099999999999999 109.255 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' C' ' 7' ' ' GLY . 96.0 m-85 -109.43 142.32 40.58 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.563 -0.71 . . . . 0.64000000000000001 109.288 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -133.58 140.69 47.3 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.304 -0.873 . . . . 0.48999999999999999 109.584 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -88.38 155.7 19.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.406 -0.809 . . . . 0.46999999999999997 109.163 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.77 130.69 17.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.073 -1.017 . . . . 0.41999999999999998 109.446 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -86.49 127.72 34.89 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.272 -0.892 . . . . 1.8100000000000001 109.132 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 120.0 61.79 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.323 -0.861 . . . . 0.41999999999999998 109.539 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -77.05 144.73 38.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.484 -0.76 . . . . 2.3500000000000001 109.792 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.61 112.31 2.01 Favored Glycine 0 N--CA 1.497 2.749 0 N-CA-C 110.351 -1.1 . . . . 0.40999999999999998 110.351 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -59.98 -49.64 76.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.363 -1.081 . . . . 2.5899999999999999 109.283 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -59.97 -39.92 87.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.235 -0.916 . . . . 2.54 108.767 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.635 ' NH1' HD22 ' A' ' 30' ' ' LEU . 10.2 tpp180 -60.08 -39.16 85.1 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.605 -0.684 . . . . 3.3900000000000001 109.433 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.39 -42.64 82.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.228 -0.92 . . . . 0.46999999999999997 109.672 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.761 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 39.4 ttp -59.98 -50.69 72.76 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.63 -0.669 . . . . 0.60999999999999999 109.838 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -63.47 -39.94 95.78 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.898 . . . . 0.33000000000000002 109.374 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -53.23 -48.72 67.96 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 3.2799999999999998 109.152 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' B' ' 19' ' ' ARG . 83.4 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.092 -1.005 . . . . 1.78 109.322 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.3 -45.97 90.85 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.1 -1.0 . . . . 0.38 108.992 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.06 -49.94 75.66 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 1.2 109.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.06 -39.36 85.74 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.446 -0.784 . . . . 2.1200000000000001 109.955 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.605 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.76 -46.93 86.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.044 -1.035 . . . . 0.26000000000000001 109.408 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.614 HD22 ' NH1' ' A' ' 19' ' ' ARG . 87.6 mt -61.87 -41.74 98.22 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.172 -0.955 . . . . 0.40000000000000002 109.089 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.16 -41.77 93.52 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.386 -0.821 . . . . 2.0899999999999999 109.484 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.57 HD11 HE22 ' D' ' 36' ' ' GLN . 61.7 tp -60.09 -49.98 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.284 -0.885 . . . . 0.75 109.434 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -63.9 -40.35 96.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.325 -0.859 . . . . 2.1899999999999999 109.563 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.05 -39.93 87.68 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.361 -0.837 . . . . 1.3400000000000001 109.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.94 94.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.323 -0.86 . . . . 0.71999999999999997 109.368 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.572 HE22 HD11 ' D' ' 32' ' ' LEU . 89.7 mt-30 -72.83 -40.06 66.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 1.8 109.326 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.41 -9.81 58.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.338 -0.851 . . . . 1.3899999999999999 109.666 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.35 9.52 7.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 110.128 -1.189 . . . . 1.6599999999999999 110.128 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -87.13 111.94 21.44 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.057 -1.26 . . . . 4.4500000000000002 109.363 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' C' ' 42' ' ' GLY . 50.7 mm-40 -60.01 150.38 70.1 Favored Pre-proline 0 N--CA 1.489 1.502 0 O-C-N 121.365 -0.834 . . . . 6.1900000000000004 108.982 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.15 3.86 0.22 Allowed 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 120.847 1.031 . . . . 5.5800000000000001 110.008 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' C' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 118.047 -1.418 . . . . 6.9000000000000004 109.622 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' D' ' 3' ' ' LYS . 47.7 mtmt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.298 -0.63 . . . . 7.3600000000000003 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' D' ' 3' ' ' LYS . 63.0 tttm 62.65 -49.67 0.18 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 122.065 -0.397 . . . . 7.1500000000000004 110.283 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.525 ' N ' ' O ' ' D' ' 1' ' ' LYS . 24.0 mtmt 59.78 149.54 0.08 OUTLIER Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.302 -0.874 . . . . 6.5 109.374 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -58.76 -84.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.659 0 N-CA-C 109.185 -1.121 . . . . 4.5 109.185 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -84.55 122.12 28.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.253 -0.904 . . . . 4.3200000000000003 109.423 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -81.93 128.03 33.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.207 -0.933 . . . . 2.46 109.457 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . 0.5 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -70.32 140.06 31.7 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 108.989 -1.644 . . . . 0.96999999999999997 108.989 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.99 134.37 56.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.986 -1.302 . . . . 1.6699999999999999 109.281 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 96.0 m-85 -109.36 142.88 39.67 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.524 -0.735 . . . . 0.60999999999999999 109.161 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.22 140.23 46.34 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.332 -0.855 . . . . 0.56000000000000005 109.584 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 79.1 p -88.1 155.53 19.74 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.335 -0.853 . . . . 0.42999999999999999 109.156 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.0 tp -147.01 130.01 16.33 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.003 -1.061 . . . . 0.34999999999999998 109.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -86.04 128.24 34.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.228 -0.92 . . . . 1.3700000000000001 109.081 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.98 120.0 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.435 -0.79 . . . . 0.47999999999999998 109.622 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 47.3 ttt-85 -77.05 145.2 38.08 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.392 -0.817 . . . . 2.0800000000000001 109.958 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.91 112.66 1.89 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.582 -1.007 . . . . 0.40000000000000002 110.582 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -60.09 -49.42 77.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.249 -1.148 . . . . 2.6400000000000001 109.387 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.01 -39.86 87.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.337 -0.852 . . . . 2.2200000000000002 108.705 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.606 ' NH1' HD22 ' B' ' 30' ' ' LEU . 10.4 tpp180 -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.466 -0.771 . . . . 2.7400000000000002 109.47 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -56.81 -42.91 80.37 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.208 -0.933 . . . . 0.42999999999999999 109.61 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.55 85.94 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 108.749 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 39.7 ttp -60.0 -50.51 73.46 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.42999999999999999 109.819 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -63.35 -40.0 96.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.27000000000000002 109.311 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -53.15 -48.67 67.76 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.376 -0.827 . . . . 2.4500000000000002 109.297 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . 0.539 ' CD ' HH12 ' A' ' 19' ' ' ARG . 83.6 tt0 -60.06 -47.3 86.44 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.096 -1.002 . . . . 1.75 109.287 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.37 -46.2 89.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.178 -0.951 . . . . 0.31 109.104 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.445 -0.785 . . . . 1.22 109.69 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -39.85 86.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.461 -0.775 . . . . 1.73 109.749 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.605 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.03 -47.21 83.76 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.147 -0.971 . . . . 0.28000000000000003 109.423 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.642 HD22 ' NH1' ' B' ' 19' ' ' ARG . 87.8 mt -61.58 -42.24 98.57 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.31 109.131 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -41.43 92.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.322 -0.861 . . . . 1.9099999999999999 109.213 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.572 HD11 HE22 ' C' ' 36' ' ' GLN . 62.2 tp -60.01 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.376 -0.827 . . . . 0.42999999999999999 109.476 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -64.42 -40.01 94.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.958 . . . . 1.5700000000000001 109.453 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.98 -40.02 87.67 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.417 -0.802 . . . . 1.4399999999999999 109.351 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.11 95.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.342 -0.849 . . . . 0.64000000000000001 109.397 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.57 HE22 HD11 ' C' ' 32' ' ' LEU . 89.5 mt-30 -72.73 -40.02 66.42 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.21 -0.931 . . . . 1.21 109.355 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.78 -10.01 59.08 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.403 -0.811 . . . . 1.22 109.627 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.03 9.23 6.94 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 110.138 -1.185 . . . . 1.5 110.138 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -86.95 112.07 21.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.059 -1.26 . . . . 4.1799999999999997 109.472 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' D' ' 42' ' ' GLY . 53.3 mm-40 -59.96 149.6 73.03 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 5.6699999999999999 109.216 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -59.38 3.73 0.17 Allowed 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 120.893 1.062 . . . . 5.6500000000000004 110.005 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' D' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.565 -1.414 . . . . 7.2699999999999996 109.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.297 0.57 . . . . 7.3300000000000001 109.555 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 3' ' ' LYS . 92.7 mttt 47.44 -168.92 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.312 -0.867 . . . . 7.21 109.669 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 2' ' ' LYS . 53.9 mttt 60.14 149.66 0.08 OUTLIER Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.528 -0.733 . . . . 6.4699999999999998 109.118 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 3' ' ' LYS . 6.3 Cg_exo -54.36 -163.8 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.71 0 C-N-CA 120.924 1.083 . . . . 4.5300000000000002 110.136 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -77.43 134.56 38.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.051 -1.031 . . . . 4.3499999999999996 109.37 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -79.01 163.9 24.81 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 2.48 109.924 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.89 151.85 52.53 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.357 -1.497 . . . . 0.97999999999999998 109.357 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.96 139.5 57.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.378 -1.072 . . . . 1.7 109.639 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.434 ' CB ' HE21 ' C' ' 13' ' ' GLN . 96.5 m-85 -102.56 148.34 25.66 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.456 -0.778 . . . . 0.60999999999999999 109.124 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -132.63 134.26 44.66 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.376 -0.827 . . . . 0.57999999999999996 109.698 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p -87.97 156.89 19.1 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.369 -0.832 . . . . 0.41999999999999998 108.967 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -146.43 129.22 16.24 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.111 -0.993 . . . . 0.35999999999999999 108.962 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -85.04 127.09 34.06 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.244 -0.91 . . . . 1.3700000000000001 108.802 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.06 120.08 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.516 -0.74 . . . . 0.46999999999999997 110.05 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.5 148.97 38.55 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.508 -0.745 . . . . 2.1000000000000001 109.949 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 125.29 0.73 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.379 -1.089 . . . . 0.41999999999999998 110.379 179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.06 -40.71 78.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.28 -1.129 . . . . 2.6800000000000002 109.409 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.36 -44.03 95.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.217 -0.927 . . . . 2.2200000000000002 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.34 -39.98 89.06 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 2.77 109.065 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.72 -47.4 84.71 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.428 -0.795 . . . . 0.42999999999999999 109.198 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -59.82 -39.96 86.85 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.091 -1.005 . . . . 1.6599999999999999 108.536 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 54.9 ttp -62.62 -50.81 69.78 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.402 -0.811 . . . . 0.44 109.704 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.67 -40.96 98.72 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.202 -0.936 . . . . 0.28999999999999998 109.038 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.74 -41.07 90.12 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.626 -0.879 . . . . 2.4399999999999999 108.626 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.9 75.81 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.426 -0.796 . . . . 1.74 109.011 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.52 -42.51 99.56 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.255 -0.903 . . . . 0.29999999999999999 108.893 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.04 -50.0 75.45 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.364 -0.835 . . . . 1.22 109.449 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.93 -39.96 93.85 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.286 -0.884 . . . . 1.72 109.774 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.69 -44.77 93.53 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.241 -0.912 . . . . 0.27000000000000002 109.007 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.08 -40.82 98.79 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.145 -0.972 . . . . 0.28999999999999998 109.033 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -47.44 85.79 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.22 -0.925 . . . . 1.9099999999999999 108.982 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.05 -49.7 76.64 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.476 -0.935 . . . . 0.40999999999999998 108.476 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -60.09 -41.79 93.25 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 109.096 -0.705 . . . . 1.5600000000000001 109.096 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -60.19 -40.04 88.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.506 -0.746 . . . . 1.4299999999999999 110.314 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.96 95.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.127 -0.983 . . . . 0.66000000000000003 109.94 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -71.45 -39.96 70.64 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.168 -0.957 . . . . 1.1799999999999999 109.102 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.8 -7.0 48.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.379 -0.826 . . . . 1.23 109.485 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.76 -3.9 87.66 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.864 -1.294 . . . . 1.54 109.864 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -85.77 128.1 34.71 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.151 -1.205 . . . . 4.1799999999999997 109.269 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 0.8 OUTLIER -50.52 -54.19 37.85 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.232 -0.917 . . . . 5.71 110.378 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 40' ' ' GLU . 2.3 Cg_endo -59.99 144.08 99.51 Favored 'Trans proline' 0 C--N 1.324 -0.732 0 N-CA-C 109.772 -0.895 . . . . 5.6100000000000003 109.772 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 118.023 -1.432 . . . . 7.2400000000000002 109.684 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.31 -0.626 . . . . 7.3399999999999999 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 3' ' ' LYS . 92.7 mttt 47.43 -168.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.174 -0.954 . . . . 7.1699999999999999 109.825 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' B' ' 2' ' ' LYS . 52.9 mttt 59.81 149.93 0.08 OUTLIER Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 6.4400000000000004 108.997 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.439 ' O ' ' O ' ' B' ' 3' ' ' LYS . 5.7 Cg_exo -54.59 -163.18 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 120.949 1.099 . . . . 4.54 110.128 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -77.53 134.22 38.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.127 -0.983 . . . . 4.3200000000000003 109.319 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.23 161.61 26.24 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.366 -0.834 . . . . 2.4700000000000002 109.839 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.33 151.67 50.08 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.621 -1.391 . . . . 0.94999999999999996 109.621 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.09 139.8 57.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.307 -1.114 . . . . 1.6100000000000001 109.564 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -103.23 148.59 25.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.56999999999999995 109.079 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.8 134.56 44.84 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.325 -0.86 . . . . 0.53000000000000003 109.689 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.1 157.6 18.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.38 108.872 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -146.65 130.04 16.74 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.994 . . . . 0.35999999999999999 108.821 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.434 HE21 ' CB ' ' D' ' 9' ' ' TYR . 59.2 tt0 -85.95 126.88 34.43 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.207 -0.933 . . . . 1.3600000000000001 108.879 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.01 120.04 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.373 -0.829 . . . . 0.48999999999999999 110.087 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -75.53 148.73 38.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.527 -0.733 . . . . 2.1000000000000001 109.987 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.6 125.3 0.76 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.175 -1.17 . . . . 0.44 110.175 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -69.29 -40.65 77.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.321 -1.105 . . . . 2.7200000000000002 109.409 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.23 -44.24 95.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.122 -0.986 . . . . 2.21 109.245 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -60.17 -39.98 88.35 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.41 -0.806 . . . . 2.79 109.075 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -58.9 -47.18 85.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.45000000000000001 109.243 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.97 -40.17 88.15 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.982 -1.074 . . . . 1.6799999999999999 108.628 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 57.3 ttp -62.58 -50.07 72.75 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.354 -0.842 . . . . 0.42999999999999999 109.861 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.4 -40.99 98.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.254 -0.904 . . . . 0.28000000000000003 108.908 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -59.85 -40.98 90.42 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.606 -0.886 . . . . 2.52 108.606 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.95 -49.58 77.1 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.406 -0.808 . . . . 1.75 108.964 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.86 -42.49 99.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.128 -0.982 . . . . 0.31 108.849 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.96 -50.05 75.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.35 -0.844 . . . . 1.21 109.57 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.71 -40.01 93.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.297 -0.877 . . . . 1.6899999999999999 109.679 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.92 -44.79 94.09 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.261 -0.899 . . . . 0.27000000000000002 109.121 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.1 -40.71 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 0.29999999999999999 108.937 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -47.13 87.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.922 . . . . 1.9299999999999999 108.873 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.04 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.435 -0.95 . . . . 0.40000000000000002 108.435 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -60.08 -41.5 92.58 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 109.07 -0.715 . . . . 1.5900000000000001 109.07 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -60.12 -39.9 87.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.51 -0.744 . . . . 1.4299999999999999 110.261 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.99 94.76 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.65000000000000002 109.863 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.59 -40.05 73.49 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.107 -0.996 . . . . 1.1899999999999999 109.209 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.68 -7.6 51.2 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.37 -0.831 . . . . 1.22 109.472 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.11 -4.64 86.51 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.917 -1.273 . . . . 1.53 109.917 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -85.3 127.92 34.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.155 -1.203 . . . . 4.21 109.438 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.448 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 0.8 OUTLIER -50.76 -53.97 41.34 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.212 -0.93 . . . . 5.6799999999999997 110.495 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' B' ' 40' ' ' GLU . 2.6 Cg_endo -59.73 145.35 98.4 Favored 'Trans proline' 0 C--N 1.324 -0.73 0 N-CA-C 109.787 -0.89 . . . . 5.5700000000000003 109.787 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 CA-C-O 117.965 -1.464 . . . . 7.2000000000000002 109.525 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.498 -0.556 . . . . 8.9600000000000009 109.498 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 3' ' ' LYS . 92.7 mttt 47.83 -169.25 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.354 -0.841 . . . . 8.1500000000000004 109.634 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' C' ' 2' ' ' LYS . 53.7 mttt 60.44 149.75 0.09 OUTLIER Pre-proline 0 N--CA 1.494 1.726 0 N-CA-C 108.953 -0.758 . . . . 7.1500000000000004 108.953 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' C' ' 3' ' ' LYS . 6.1 Cg_exo -54.41 -164.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 120.977 1.118 . . . . 4.3499999999999996 110.194 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 91.7 mt -77.15 134.25 38.74 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.166 -0.959 . . . . 4.6299999999999999 109.358 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -78.97 162.98 25.59 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.444 -0.785 . . . . 2.8500000000000001 109.841 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.22 151.9 52.09 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.443 -1.463 . . . . 1.1200000000000001 109.443 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.01 138.8 57.77 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.356 -1.085 . . . . 2.1099999999999999 109.875 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -102.01 148.24 25.6 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.495 -0.753 . . . . 0.64000000000000001 109.324 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -132.43 134.23 44.84 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.454 -0.779 . . . . 0.48999999999999999 109.671 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.02 157.34 18.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.434 -0.792 . . . . 0.46999999999999997 108.942 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 58.7 tp -146.59 129.42 16.25 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.017 . . . . 0.41999999999999998 109.002 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . 0.434 HE21 ' CB ' ' A' ' 9' ' ' TYR . 59.3 tt0 -85.15 126.82 33.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -0.823 . . . . 1.8100000000000001 108.915 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.08 120.4 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.484 -0.76 . . . . 0.41999999999999998 110.112 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.55 149.6 38.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.487 -0.758 . . . . 2.3500000000000001 109.962 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.61 124.14 0.57 Allowed Glycine 0 N--CA 1.494 2.552 0 N-CA-C 110.495 -1.042 . . . . 0.40999999999999998 110.495 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -67.76 -41.27 83.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.369 -1.077 . . . . 2.5899999999999999 109.504 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.2 -43.7 95.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.091 -1.006 . . . . 2.54 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.5 -39.89 89.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.294 -0.879 . . . . 3.3900000000000001 109.081 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.05 -47.07 86.56 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.368 -0.832 . . . . 0.46999999999999997 109.28 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.91 -39.95 87.15 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.043 -1.035 . . . . 1.6599999999999999 108.508 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . 0.44 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 57.2 ttp -62.84 -50.23 71.78 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.393 -0.817 . . . . 0.60999999999999999 109.797 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.05 -41.13 99.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.22 -0.925 . . . . 0.33000000000000002 108.924 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -59.67 -40.93 89.39 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.681 -0.859 . . . . 3.2799999999999998 108.681 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.08 -49.85 76.03 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.404 -0.81 . . . . 1.78 108.936 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.67 -42.28 99.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.152 -0.967 . . . . 0.38 108.966 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.08 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.421 -0.799 . . . . 1.2 109.652 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.01 -39.94 93.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.399 -0.813 . . . . 2.1200000000000001 109.741 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.66 94.11 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.278 -0.889 . . . . 0.26000000000000001 109.034 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.39 -40.61 97.69 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.147 -0.971 . . . . 0.40000000000000002 109.004 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.03 -47.13 87.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.206 -0.934 . . . . 2.0899999999999999 108.982 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.405 HD21 ' NE2' ' D' ' 36' ' ' GLN . 64.8 tp -60.14 -49.86 75.97 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.344 -0.984 . . . . 0.75 108.344 179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -60.0 -41.35 91.89 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.014 -0.735 . . . . 2.1899999999999999 109.014 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.32 -40.08 89.35 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.476 -0.765 . . . . 1.3400000000000001 110.216 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.95 94.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.143 -0.973 . . . . 0.71999999999999997 109.923 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.443 ' NE2' HD21 ' D' ' 32' ' ' LEU . 27.5 mt-30 -70.94 -40.04 72.26 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.024 -1.047 . . . . 1.8 109.316 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.53 -7.35 49.62 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.332 -0.855 . . . . 1.3899999999999999 109.542 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.85 -3.45 87.66 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.83 -1.308 . . . . 1.6599999999999999 109.83 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -86.02 127.48 34.66 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.159 -1.201 . . . . 4.4500000000000002 109.229 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.441 ' N ' ' HD2' ' C' ' 41' ' ' PRO . 0.8 OUTLIER -50.28 -53.99 38.84 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.157 -0.965 . . . . 6.1900000000000004 110.434 -179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' C' ' 40' ' ' GLU . 2.1 Cg_endo -60.32 143.31 99.49 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 N-CA-C 109.742 -0.907 . . . . 5.5800000000000001 109.742 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 CA-C-O 118.058 -1.412 . . . . 6.9000000000000004 109.574 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.443 -0.576 . . . . 7.3600000000000003 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' D' ' 3' ' ' LYS . 93.2 mttt 47.5 -168.26 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.35 -0.844 . . . . 7.1500000000000004 109.645 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' D' ' 2' ' ' LYS . 54.3 mttt 59.81 149.7 0.08 OUTLIER Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.542 -0.724 . . . . 6.5 109.105 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . 0.445 ' O ' ' O ' ' D' ' 3' ' ' LYS . 6.3 Cg_exo -54.26 -163.08 0.01 OUTLIER 'Trans proline' 0 C--O 1.214 -0.706 0 C-N-CA 121.013 1.142 . . . . 4.5 110.201 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 92.2 mt -77.99 134.42 37.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.13 -0.981 . . . . 4.3200000000000003 109.265 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.1 163.31 25.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.369 -0.832 . . . . 2.46 109.866 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.23 151.76 52.1 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.469 -1.452 . . . . 0.96999999999999997 109.469 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.02 140.09 57.02 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.358 -1.083 . . . . 1.6699999999999999 109.507 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.434 ' CB ' HE21 ' B' ' 13' ' ' GLN . 96.4 m-85 -103.42 148.53 25.79 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.388 -0.82 . . . . 0.60999999999999999 109.174 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -132.63 134.75 45.27 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.375 -0.828 . . . . 0.56000000000000005 109.758 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.26 157.1 18.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 108.916 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 tp -146.34 129.6 16.66 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.103 -0.998 . . . . 0.34999999999999998 108.926 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -85.41 127.18 34.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.259 -0.9 . . . . 1.3700000000000001 108.806 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.01 120.34 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 121.421 -0.799 . . . . 0.47999999999999998 110.214 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -75.76 148.85 38.19 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.427 -0.796 . . . . 2.0800000000000001 110.054 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.12 125.4 0.69 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.373 -1.091 . . . . 0.40000000000000002 110.373 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' OE1' ' D' ' 21' ' ' GLU . 4.7 tmt_? -68.72 -40.72 79.78 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.42 -1.047 . . . . 2.6400000000000001 109.475 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.43 -43.7 96.52 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.123 -0.986 . . . . 2.2200000000000002 109.469 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.44 -39.94 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.355 -0.841 . . . . 2.7400000000000002 109.033 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -58.82 -47.22 85.56 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.351 -0.843 . . . . 0.42999999999999999 109.27 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.415 ' OE1' ' NH1' ' D' ' 17' ' ' ARG . 47.4 mt-10 -59.94 -40.12 87.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.127 -0.983 . . . . 1.6899999999999999 108.519 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 56.4 ttp -62.54 -50.33 71.76 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.392 -0.817 . . . . 0.42999999999999999 109.675 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -63.25 -40.84 98.55 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.27000000000000002 108.95 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.88 -40.97 90.52 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.614 -0.884 . . . . 2.4500000000000002 108.614 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -49.82 76.18 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.438 -0.789 . . . . 1.75 109.0 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.46 -42.7 99.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.182 -0.949 . . . . 0.31 108.907 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.05 -49.74 76.48 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.487 -0.758 . . . . 1.22 109.746 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.93 93.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.331 -0.856 . . . . 1.73 109.746 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.48 94.43 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.213 -0.93 . . . . 0.28000000000000003 109.053 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.55 -40.54 97.27 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.122 -0.986 . . . . 0.31 108.938 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -47.42 85.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.242 -0.911 . . . . 1.9099999999999999 109.037 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.443 HD21 ' NE2' ' C' ' 36' ' ' GLN . 64.4 tp -59.93 -49.93 75.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.426 -0.953 . . . . 0.42999999999999999 108.426 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -60.06 -40.91 91.13 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.214 -0.662 . . . . 1.5700000000000001 109.214 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.66 -40.0 90.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 1.4399999999999999 110.236 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.63 95.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.336 -0.852 . . . . 0.64000000000000001 109.858 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.405 ' NE2' HD21 ' C' ' 32' ' ' LEU . 27.5 mt-30 -71.22 -39.92 71.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.072 -1.018 . . . . 1.21 109.16 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.65 -6.99 48.09 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.351 -0.843 . . . . 1.22 109.572 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.92 -3.97 88.21 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.951 -1.26 . . . . 1.5 109.951 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.77 127.79 34.63 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.119 -1.224 . . . . 4.1799999999999997 109.349 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' D' ' 41' ' ' PRO . 0.8 OUTLIER -50.91 -52.79 54.32 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.193 -0.942 . . . . 5.6699999999999999 110.753 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' D' ' 40' ' ' GLU . 2.1 Cg_endo -61.13 144.34 99.12 Favored 'Trans proline' 0 C--N 1.325 -0.689 0 C-N-CA 120.683 0.922 . . . . 5.6500000000000004 109.86 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 CA-C-O 118.021 -1.433 . . . . 7.2699999999999996 109.718 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.443 -0.577 . . . . 7.3300000000000001 109.443 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 tttm 50.36 69.96 0.56 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.167 -0.958 . . . . 7.21 109.116 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 5' ' ' LEU . 38.1 mtpt 52.37 68.7 2.89 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 6.4699999999999998 109.685 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -66.94 29.96 0.12 Allowed 'Trans proline' 0 C--N 1.318 -1.072 0 C-N-CA 121.68 1.587 . . . . 4.5300000000000002 110.496 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 3' ' ' LYS . 3.5 mm? -80.32 59.13 3.31 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.828 -1.17 . . . . 4.3499999999999996 108.986 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -77.38 169.84 17.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.1 -1.0 . . . . 2.48 108.774 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.54 148.95 51.35 Favored Glycine 0 N--CA 1.487 2.048 0 N-CA-C 109.142 -1.583 . . . . 0.97999999999999998 109.142 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 139.94 57.08 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -1.096 . . . . 1.7 109.643 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -101.35 145.56 28.73 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.505 -0.747 . . . . 0.60999999999999999 109.466 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -135.22 138.99 44.14 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.197 -0.94 . . . . 0.57999999999999996 109.342 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -90.46 155.77 18.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.422 -0.799 . . . . 0.41999999999999998 109.004 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 tp -145.85 128.33 16.0 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.066 -1.022 . . . . 0.35999999999999999 109.039 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.53 126.62 33.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 1.3700000000000001 109.215 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.78 121.79 66.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.639 -0.663 . . . . 0.46999999999999997 109.345 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -77.22 144.62 38.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.569 -0.707 . . . . 2.1000000000000001 110.075 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.73 125.28 0.93 Allowed Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.263 -0.898 . . . . 0.41999999999999998 111.078 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -65.72 -41.67 91.97 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -1.09 . . . . 2.6800000000000002 109.236 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.13 -42.96 95.91 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.201 -0.937 . . . . 2.2200000000000002 108.753 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 39.1 ttm180 -61.07 -41.95 97.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.407 -0.808 . . . . 2.77 109.051 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -60.19 -49.26 78.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.42999999999999999 109.143 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.5 -39.35 76.28 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 108.515 -0.92 . . . . 1.6599999999999999 108.515 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.7 ttp -60.09 -52.15 66.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.344 -0.847 . . . . 0.44 110.475 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -67.2 -39.7 86.37 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.999 -1.063 . . . . 0.28999999999999998 109.837 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -54.89 -43.53 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 2.4399999999999999 108.906 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.86 -48.88 79.9 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.671 -0.863 . . . . 1.74 108.671 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.52 -42.93 98.43 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.323 -0.861 . . . . 0.29999999999999999 109.261 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.48 -49.68 76.61 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 1.22 109.401 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.78 -39.85 90.37 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.284 -0.885 . . . . 1.72 109.194 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.99 -48.06 82.95 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.34 -0.85 . . . . 0.27000000000000002 109.351 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.0 -42.92 99.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.115 -0.991 . . . . 0.28999999999999998 109.333 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.13 -40.04 92.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.299 -0.876 . . . . 1.9099999999999999 109.582 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD22 HD22 ' B' ' 32' ' ' LEU . 3.8 tt -60.13 -51.79 68.1 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.506 -0.746 . . . . 0.40999999999999998 109.031 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.67 -40.47 95.06 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.315 -0.866 . . . . 1.5600000000000001 109.18 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.93 -40.12 87.85 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.448 -0.783 . . . . 1.4299999999999999 110.114 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.18 88.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.031 -1.043 . . . . 0.66000000000000003 110.113 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -71.9 -34.08 68.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.108 -0.995 . . . . 1.1799999999999999 110.001 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -66.3 -38.68 88.31 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.071 -1.018 . . . . 1.23 109.201 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.01 41.63 0.89 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.513 -1.435 . . . . 1.54 109.513 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 37' ' ' ALA . 64.1 tttm -81.94 133.06 35.28 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.164 -1.197 . . . . 4.1799999999999997 109.362 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -58.52 149.38 61.52 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 5.71 108.872 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -54.57 138.64 75.24 Favored 'Trans proline' 0 C--N 1.322 -0.851 0 C-N-CA 121.03 1.153 . . . . 5.6100000000000003 109.866 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 CA-C-O 117.938 -1.479 . . . . 7.2400000000000002 109.468 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.389 0.614 . . . . 7.3399999999999999 109.456 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 57.2 tttm 52.12 69.9 0.62 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.322 -0.861 . . . . 7.1699999999999999 109.264 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' B' ' 5' ' ' LEU . 48.6 mtpt 53.37 66.16 4.95 Favored Pre-proline 0 C--N 1.303 -1.455 0 O-C-N 121.535 -0.728 . . . . 6.4400000000000004 109.507 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -67.5 34.0 0.15 Allowed 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.697 1.598 . . . . 4.54 109.938 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' B' ' 3' ' ' LYS . 3.9 mm? -83.02 60.9 5.72 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.003 -1.06 . . . . 4.3200000000000003 108.677 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -79.03 164.53 24.27 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.93 . . . . 2.4700000000000002 109.97 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.94 148.63 39.28 Favored Glycine 0 N--CA 1.487 2.038 0 N-CA-C 108.689 -1.764 . . . . 0.94999999999999996 108.689 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.69 139.91 57.69 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.238 -1.154 . . . . 1.6100000000000001 109.57 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -100.39 143.62 30.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.432 -0.793 . . . . 0.56999999999999995 109.442 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -132.61 139.26 47.69 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.238 -0.914 . . . . 0.53000000000000003 109.494 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 65.8 p -90.79 156.69 17.86 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.842 -0.799 . . . . 0.38 108.842 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.0 tp -147.63 127.54 13.57 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.064 -1.022 . . . . 0.35999999999999999 108.817 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -83.7 128.64 34.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.246 -0.909 . . . . 1.3600000000000001 109.086 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.7 mt -121.47 120.82 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.659 -0.65 . . . . 0.48999999999999999 109.933 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -75.56 143.59 42.33 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.519 -0.738 . . . . 2.1000000000000001 110.133 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.24 125.44 0.86 Allowed Glycine 0 N--CA 1.497 2.742 0 C-N-CA 120.462 -0.875 . . . . 0.44 111.457 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -64.73 -41.42 95.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.575 -0.956 . . . . 2.7200000000000002 109.511 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.1 -42.91 95.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.23 -0.919 . . . . 2.21 108.931 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.549 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 38.8 ttm180 -61.35 -43.04 99.55 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.57 -0.9 . . . . 2.79 108.57 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.19 -48.7 80.66 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.52 -0.738 . . . . 0.45000000000000001 109.084 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.66 -39.87 81.84 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 1.6799999999999999 109.163 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.1 ttp -60.81 -51.82 67.71 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.417 -0.802 . . . . 0.42999999999999999 110.428 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -66.06 -39.81 90.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.116 -0.99 . . . . 0.28000000000000003 109.598 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -56.12 -42.43 76.87 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.51 -0.876 . . . . 2.52 108.692 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.05 -47.62 85.09 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.144 -0.972 . . . . 1.75 108.979 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 77.9 mt -65.85 -42.09 90.89 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.216 -0.928 . . . . 0.31 109.521 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.94 -49.89 75.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.363 -0.836 . . . . 1.21 109.723 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.54 -37.26 85.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.605 -0.684 . . . . 1.6899999999999999 109.324 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.697 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.48 -47.75 84.31 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.27000000000000002 109.12 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.8 -41.87 98.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 0.29999999999999999 109.342 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.66 -40.32 94.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 1.9299999999999999 109.012 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.673 HD22 HD22 ' A' ' 32' ' ' LEU . 3.4 tt -60.5 -52.43 65.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.779 -0.823 . . . . 0.40000000000000002 108.779 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -61.14 -40.76 95.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.156 -0.965 . . . . 1.5900000000000001 109.224 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.466 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 97.1 m-20 -60.55 -39.6 88.53 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.525 -0.735 . . . . 1.4299999999999999 110.068 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.4 94.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.079 -1.013 . . . . 0.65000000000000002 110.058 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.5 -32.77 70.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.766 -1.209 . . . . 1.1899999999999999 109.817 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -67.17 -39.7 86.49 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.96 . . . . 1.22 109.086 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.16 44.53 0.71 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.5 -1.44 . . . . 1.53 109.5 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' B' ' 37' ' ' ALA . 63.2 tttm -84.0 131.11 34.85 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.13 -1.218 . . . . 4.21 109.08 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.54 148.41 74.27 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.374 -0.829 . . . . 5.6799999999999997 109.499 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -53.03 136.24 60.59 Favored 'Trans proline' 0 C--N 1.324 -0.718 0 C-N-CA 121.114 1.209 . . . . 5.5700000000000003 110.044 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.462 0 N-CA-C 109.391 -1.484 . . . . 7.2000000000000002 109.391 179.711 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.154 -0.684 . . . . 8.9600000000000009 109.154 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 47.9 69.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.02 -1.05 . . . . 8.1500000000000004 109.654 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' C' ' 5' ' ' LEU . 47.8 mtpt 51.79 67.0 4.51 Favored Pre-proline 0 N--CA 1.492 1.652 0 O-C-N 121.232 -0.918 . . . . 7.1500000000000004 109.737 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -66.26 33.09 0.12 Allowed 'Trans proline' 0 C--N 1.321 -0.899 0 C-N-CA 121.717 1.611 . . . . 4.3499999999999996 110.392 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' C' ' 3' ' ' LYS . 3.8 mm? -82.58 61.01 5.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.058 -1.026 . . . . 4.6299999999999999 108.609 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -79.7 168.0 19.91 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.48 -0.762 . . . . 2.8500000000000001 108.947 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.06 150.48 46.22 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.073 -1.611 . . . . 1.1200000000000001 109.073 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.99 139.79 57.97 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.21 -1.17 . . . . 2.1099999999999999 109.523 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.5 140.62 35.55 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.372 -0.83 . . . . 0.64000000000000001 109.566 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -129.63 139.85 51.32 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.332 -0.855 . . . . 0.48999999999999999 109.508 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 73.1 p -90.91 156.75 17.76 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.694 -0.854 . . . . 0.46999999999999997 108.694 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.05 127.97 14.48 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.061 -1.025 . . . . 0.41999999999999998 108.912 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -84.26 127.1 33.75 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.42 -0.8 . . . . 1.8100000000000001 109.284 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.2 122.24 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 121.343 -0.848 . . . . 0.41999999999999998 109.774 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -78.04 142.78 37.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.496 -0.753 . . . . 2.3500000000000001 110.543 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.57 124.22 1.19 Allowed Glycine 0 N--CA 1.497 2.746 0 N-CA-C 110.858 -0.897 . . . . 0.40999999999999998 110.858 178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -64.09 -42.12 97.05 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.367 -1.078 . . . . 2.5899999999999999 109.674 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.82 -42.4 93.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.045 -1.034 . . . . 2.54 108.858 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.496 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -61.16 -41.39 96.68 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.674 -0.861 . . . . 3.3900000000000001 108.674 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.81 -48.42 81.76 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.483 -0.761 . . . . 0.46999999999999997 109.545 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.55 -39.21 83.23 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.191 -0.943 . . . . 1.6599999999999999 109.158 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 49.6 ttp -60.6 -53.38 58.16 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 0.60999999999999999 110.416 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -64.94 -39.17 93.09 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.951 -1.093 . . . . 0.33000000000000002 109.565 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -56.49 -43.07 79.32 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 108.823 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.18 -46.99 87.8 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.68 -0.859 . . . . 1.78 108.68 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.67 -43.76 88.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.451 -0.781 . . . . 0.38 109.374 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -60.14 -48.63 80.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.32 -0.862 . . . . 1.2 109.888 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.6 -39.88 92.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.397 -0.814 . . . . 2.1200000000000001 109.798 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -60.01 -45.94 91.1 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.457 -0.777 . . . . 0.26000000000000001 109.402 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.4 -41.36 98.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.219 -0.926 . . . . 0.40000000000000002 108.779 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.44 -40.13 93.35 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.345 -0.847 . . . . 2.0899999999999999 108.798 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.513 HD23 ' O ' ' C' ' 32' ' ' LEU . 3.4 tt -60.51 -52.16 66.36 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.452 -0.78 . . . . 0.75 109.379 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.406 ' HZ3' HD12 ' D' ' 32' ' ' LEU . 18.9 ttmm -61.12 -41.37 96.58 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.123 -0.985 . . . . 2.1899999999999999 109.225 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.557 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.6 m-20 -60.68 -39.6 89.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.594 -0.691 . . . . 1.3400000000000001 110.386 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.0 95.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.131 -0.981 . . . . 0.71999999999999997 110.038 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -70.69 -34.77 72.32 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.995 -1.065 . . . . 1.8 109.343 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -64.72 -38.55 91.38 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.088 -1.007 . . . . 1.3899999999999999 109.041 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.49 42.65 0.85 Allowed Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.529 -1.428 . . . . 1.6599999999999999 109.529 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' C' ' 37' ' ' ALA . 64.3 tttm -83.41 131.34 35.05 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.185 -1.185 . . . . 4.4500000000000002 109.72 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -56.7 148.96 44.24 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.335 -0.853 . . . . 6.1900000000000004 109.183 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -55.11 142.32 77.74 Favored 'Trans proline' 0 C--N 1.324 -0.754 0 C-N-CA 120.842 1.028 . . . . 5.5800000000000001 109.556 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.574 0 CA-C-O 117.954 -1.47 . . . . 6.9000000000000004 109.626 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 69.0 mttm . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.412 -0.588 . . . . 7.3600000000000003 109.412 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 tttm 49.95 71.42 0.4 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.246 -0.908 . . . . 7.1500000000000004 109.243 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.512 ' C ' ' H ' ' D' ' 5' ' ' LEU . 39.7 mtpt 51.43 65.46 6.5 Favored Pre-proline 0 N--CA 1.489 1.481 0 O-C-N 121.296 -0.878 . . . . 6.5 109.802 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -65.41 30.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 121.695 1.596 . . . . 4.5 110.672 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' D' ' 3' ' ' LYS . 3.6 mm? -80.87 61.12 4.37 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.746 -1.221 . . . . 4.3200000000000003 109.168 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -77.84 169.96 17.39 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.46 109.34 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.44 151.18 50.62 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 108.768 -1.733 . . . . 0.96999999999999997 108.768 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.65 138.82 58.33 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.237 -1.154 . . . . 1.6699999999999999 109.813 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.2 140.82 33.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.423 -0.798 . . . . 0.60999999999999999 109.19 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.03 137.49 50.28 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.257 -0.902 . . . . 0.56000000000000005 109.388 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.12 153.71 20.75 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.698 -0.853 . . . . 0.42999999999999999 108.698 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -144.79 128.5 17.22 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.12 -0.988 . . . . 0.34999999999999998 108.703 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.15 128.33 34.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 1.3700000000000001 109.359 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 88.1 mt -120.65 121.79 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.606 -0.684 . . . . 0.47999999999999998 109.662 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -76.78 144.11 39.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.41 -0.806 . . . . 2.0800000000000001 109.925 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 124.94 1.18 Allowed Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.196 -0.94 . . . . 0.40000000000000002 111.057 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -66.35 -40.8 90.02 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.231 -1.158 . . . . 2.6400000000000001 108.921 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.26 -42.53 95.53 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.159 -0.963 . . . . 2.2200000000000002 108.707 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.466 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 39.2 ttm180 -61.92 -41.04 97.46 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.488 -0.758 . . . . 2.7400000000000002 109.211 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -60.12 -49.2 78.58 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.392 -0.817 . . . . 0.42999999999999999 109.268 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -57.83 -39.18 77.05 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.446 -0.784 . . . . 1.6899999999999999 108.934 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 54.6 ttp -60.4 -52.8 63.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.326 -0.859 . . . . 0.42999999999999999 109.952 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -65.98 -39.88 90.75 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.123 -0.985 . . . . 0.27000000000000002 109.977 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -56.29 -42.29 77.28 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.084 -1.01 . . . . 2.4500000000000002 108.526 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.13 -48.9 79.8 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.316 -0.865 . . . . 1.75 109.031 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.38 -42.85 95.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.343 -0.848 . . . . 0.31 109.311 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.14 -50.23 74.52 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.232 -0.917 . . . . 1.22 109.882 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.45 -38.61 87.85 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.392 -0.818 . . . . 1.73 109.255 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.65 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.79 -45.94 90.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.248 -0.907 . . . . 0.28000000000000003 109.74 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.13 -40.86 98.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.045 -1.034 . . . . 0.31 109.088 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.85 -40.27 94.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.394 -0.816 . . . . 1.9099999999999999 109.343 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.523 HD23 ' O ' ' D' ' 32' ' ' LEU . 3.7 tt -59.99 -51.54 69.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.42999999999999999 108.913 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -62.42 -40.4 96.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.408 -0.807 . . . . 1.5700000000000001 109.477 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.549 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.7 m-20 -60.4 -39.84 88.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.311 -0.868 . . . . 1.4399999999999999 110.146 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.52 90.4 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.64000000000000001 109.89 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -72.4 -30.34 64.56 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.185 -0.947 . . . . 1.21 110.023 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.462 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -69.8 -41.56 74.89 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.934 -1.104 . . . . 1.22 109.393 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.0 42.81 0.49 Allowed Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.261 -1.535 . . . . 1.5 109.261 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' D' ' 37' ' ' ALA . 63.9 tttm -81.44 130.65 35.12 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.207 -1.172 . . . . 4.1799999999999997 109.095 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -57.58 147.71 59.32 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.376 -0.828 . . . . 5.6699999999999999 109.137 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -54.01 138.11 69.92 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 121.16 1.24 . . . . 5.6500000000000004 110.234 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.408 0 N-CA-C 109.529 -1.428 . . . . 7.2699999999999996 109.529 179.776 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 C--O 1.196 -1.724 0 CA-C-O 120.811 0.338 . . . . 7.3300000000000001 110.697 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 1' ' ' LYS . 91.4 mttt -166.63 108.36 0.69 Allowed 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 105.874 -1.899 . . . . 7.21 105.874 177.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 5' ' ' LEU . 25.6 mmtp 53.82 68.47 2.8 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.795 -1.19 . . . . 6.4699999999999998 108.929 -178.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.41 60.35 0.19 Allowed 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 121.674 1.582 . . . . 4.5300000000000002 109.913 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LYS . 87.4 mt -82.9 47.78 1.26 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.016 -1.053 . . . . 4.3499999999999996 109.418 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -78.94 -99.33 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.218 -0.926 . . . . 2.48 109.731 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.411 ' O ' ' CE1' ' A' ' 9' ' ' TYR . . . -70.12 145.76 41.74 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.707 -1.357 . . . . 0.97999999999999998 109.707 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.08 139.73 57.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -1.141 . . . . 1.7 109.324 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 95.9 m-85 -109.96 142.05 41.88 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.494 -0.754 . . . . 0.60999999999999999 109.749 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.17 140.45 45.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.57999999999999996 109.528 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -89.63 155.09 19.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.282 -0.886 . . . . 0.41999999999999998 109.172 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.96 129.38 16.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.121 -0.987 . . . . 0.35999999999999999 109.285 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.08 127.94 34.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.366 -0.834 . . . . 1.3700000000000001 109.083 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.06 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.538 -0.726 . . . . 0.46999999999999997 110.186 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -75.63 145.93 40.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.457 -0.777 . . . . 2.1000000000000001 109.701 179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.08 122.96 0.98 Allowed Glycine 0 N--CA 1.495 2.633 0 N-CA-C 110.053 -1.219 . . . . 0.41999999999999998 110.053 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.425 ' HG2' HH11 ' A' ' 17' ' ' ARG . 29.6 ttt-85 -67.96 -42.33 81.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.292 -1.122 . . . . 2.6800000000000002 109.111 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.2 -41.4 92.92 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 108.945 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.54 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 38.8 ttm180 -60.04 -40.11 88.27 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.505 -0.747 . . . . 2.77 109.195 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.91 -46.82 88.14 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.439 -0.788 . . . . 0.42999999999999999 109.615 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.93 -40.08 87.68 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.136 -0.977 . . . . 1.6599999999999999 109.659 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -60.15 -50.63 72.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.18 -0.95 . . . . 0.44 110.437 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -64.67 -39.98 94.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.088 -1.007 . . . . 0.28999999999999998 109.521 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -54.37 -44.34 72.13 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.133 -0.979 . . . . 2.4399999999999999 108.668 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.05 -48.11 83.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.062 -1.024 . . . . 1.74 108.513 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.02 -43.83 97.64 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.29999999999999999 109.186 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.09 -49.88 75.91 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.329 -0.857 . . . . 1.22 109.221 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -39.91 90.1 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.431 -0.793 . . . . 1.72 109.537 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.7 -48.43 81.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.354 -0.841 . . . . 0.27000000000000002 109.73 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -61.93 -41.21 97.67 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.289 -0.882 . . . . 0.28999999999999998 109.6 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.97 -43.38 95.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.18 -0.95 . . . . 1.9099999999999999 109.613 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.99 -52.39 64.21 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.093 -1.004 . . . . 0.40999999999999998 109.236 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.5 -45.27 91.45 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.381 -0.824 . . . . 1.5600000000000001 109.77 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.528 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 66.1 m-20 -59.97 -40.11 87.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 1.4299999999999999 109.893 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -33.15 73.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.66000000000000003 109.329 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.19 -36.94 74.97 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.47 -0.769 . . . . 1.1799999999999999 109.664 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.72 -38.83 92.32 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.277 -0.889 . . . . 1.23 109.625 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.72 58.43 3.0 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.522 -1.431 . . . . 1.54 109.522 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -84.9 130.24 34.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.242 -1.152 . . . . 4.1799999999999997 109.596 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -57.85 148.97 56.43 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.227 -0.921 . . . . 5.71 108.79 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -54.7 146.15 56.35 Favored 'Trans proline' 0 C--N 1.323 -0.81 0 C-N-CA 120.84 1.027 . . . . 5.6100000000000003 109.762 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 CA-C-O 117.975 -1.458 . . . . 7.2400000000000002 109.561 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 2' ' ' LYS . 97.0 mttt . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.084 -0.71 . . . . 7.3399999999999999 109.084 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' B' ' 1' ' ' LYS . 96.9 mttt 96.31 101.73 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.57 0 C-N-CA 123.608 0.763 . . . . 7.1699999999999999 109.572 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.514 ' O ' ' N ' ' B' ' 5' ' ' LEU . 23.6 mmtp 51.76 68.87 2.84 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.639 -0.663 . . . . 6.4400000000000004 110.457 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.33 59.39 0.25 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.651 1.567 . . . . 4.54 109.6 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 3' ' ' LYS . 87.8 mt -82.25 47.62 1.16 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.957 -1.09 . . . . 4.3200000000000003 109.451 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -78.99 -97.19 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.91 . . . . 2.4700000000000002 109.865 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.403 ' O ' ' CE1' ' B' ' 9' ' ' TYR . . . -72.05 145.3 37.78 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.562 -1.415 . . . . 0.94999999999999996 109.562 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.96 138.23 57.89 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -1.13 . . . . 1.6100000000000001 109.406 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' B' ' 7' ' ' GLY . 94.6 m-85 -108.55 141.94 39.71 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.457 -0.777 . . . . 0.56999999999999995 109.84 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -135.02 140.11 45.36 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.387 -0.82 . . . . 0.53000000000000003 109.456 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.6 p -89.09 155.28 19.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.345 -0.847 . . . . 0.38 109.173 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.21 129.68 16.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.087 -1.008 . . . . 0.35999999999999999 109.095 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -85.48 127.98 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 1.3600000000000001 109.12 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -119.96 120.02 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.091 0 O-C-N 121.481 -0.762 . . . . 0.48999999999999999 110.231 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -75.57 145.39 41.26 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.462 -0.774 . . . . 2.1000000000000001 109.903 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.19 122.21 0.95 Allowed Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.134 -1.186 . . . . 0.44 110.134 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' B' ' 17' ' ' ARG . 30.5 ttt-85 -67.13 -42.04 85.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.198 -1.177 . . . . 2.7200000000000002 109.389 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.31 -41.68 93.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.025 -1.047 . . . . 2.21 108.92 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 39.0 ttm180 -60.05 -39.97 87.83 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.537 -0.727 . . . . 2.79 109.258 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.86 -47.03 87.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.512 -0.742 . . . . 0.45000000000000001 109.579 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -59.9 -39.97 87.19 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.235 -0.916 . . . . 1.6799999999999999 109.554 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.07 -50.88 71.98 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.374 -0.829 . . . . 0.42999999999999999 110.272 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -64.36 -39.92 94.83 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.147 -0.971 . . . . 0.28000000000000003 109.593 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -54.61 -44.12 72.82 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.244 -0.91 . . . . 2.52 108.751 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.92 -47.98 83.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 1.75 108.548 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.49 -43.8 96.2 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.216 -0.927 . . . . 0.31 109.093 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -60.03 -49.85 76.02 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.359 -0.838 . . . . 1.21 109.182 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.73 -39.99 90.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.5 -0.75 . . . . 1.6899999999999999 109.52 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.67 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.27000000000000002 109.7 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.55 -41.06 96.8 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.14 -0.975 . . . . 0.29999999999999999 109.582 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.01 -43.34 95.29 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.223 -0.923 . . . . 1.9299999999999999 109.511 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.16 -52.51 63.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.098 -1.001 . . . . 0.40000000000000002 109.218 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.4 -45.33 91.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.435 -0.791 . . . . 1.5900000000000001 109.832 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 64.7 m-20 -60.19 -40.16 89.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.897 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.91 -32.99 73.01 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.218 -0.926 . . . . 0.65000000000000002 109.277 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.02 -37.58 75.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.308 -0.87 . . . . 1.1899999999999999 109.63 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.03 95.75 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.22 109.721 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.53 58.42 2.48 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.715 -1.354 . . . . 1.53 109.715 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -85.04 130.27 34.65 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -1.178 . . . . 4.21 109.606 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -58.04 149.04 58.15 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 5.6799999999999997 108.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -54.39 146.35 52.03 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 C-N-CA 120.837 1.025 . . . . 5.5700000000000003 109.814 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 N-CA-C 109.445 -1.462 . . . . 7.2000000000000002 109.445 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' C' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.222 -0.658 . . . . 8.9600000000000009 109.222 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' C' ' 1' ' ' LYS . 96.9 mttt 96.29 102.2 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 123.667 0.787 . . . . 8.1500000000000004 109.538 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' C' ' 5' ' ' LEU . 23.5 mmtp 51.63 68.92 2.82 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.637 -0.664 . . . . 7.1500000000000004 110.568 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.31 59.19 0.25 Allowed 'Trans proline' 0 C--N 1.319 -1.007 0 C-N-CA 121.556 1.504 . . . . 4.3499999999999996 109.608 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' C' ' 3' ' ' LYS . 86.7 mt -82.08 47.32 1.1 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.959 -1.088 . . . . 4.6299999999999999 109.46 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -78.82 -98.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 2.8500000000000001 109.833 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . 0.424 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -70.51 145.35 40.4 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.658 -1.377 . . . . 1.1200000000000001 109.658 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.99 139.47 57.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.158 -1.201 . . . . 2.1099999999999999 109.213 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . 0.424 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 95.4 m-85 -109.94 142.17 41.67 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.504 -0.748 . . . . 0.64000000000000001 109.744 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.27 140.13 44.95 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.413 -0.804 . . . . 0.48999999999999999 109.567 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -89.19 155.0 19.69 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.309 -0.869 . . . . 0.46999999999999997 109.131 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.96 129.62 17.07 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.206 -0.934 . . . . 0.41999999999999998 109.192 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -85.24 128.08 34.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.285 -0.884 . . . . 1.8100000000000001 109.079 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.06 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 O-C-N 121.487 -0.758 . . . . 0.41999999999999998 110.163 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.402 ' HE ' ' HA3' ' A' ' 7' ' ' GLY . 68.9 ttt180 -75.63 145.79 40.82 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.34 -0.85 . . . . 2.3500000000000001 109.62 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.02 122.68 0.96 Allowed Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.052 -1.219 . . . . 0.40999999999999998 110.052 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' C' ' 17' ' ' ARG . 29.9 ttt-85 -68.05 -41.75 81.55 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -1.125 . . . . 2.5899999999999999 109.247 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.42 -41.71 94.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.037 -1.039 . . . . 2.54 108.873 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.528 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 38.8 ttm180 -60.08 -39.96 87.9 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 3.3900000000000001 109.173 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.81 -46.7 88.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.505 -0.747 . . . . 0.46999999999999997 109.588 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.08 -40.03 88.12 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 109.556 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.1 -50.75 72.47 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.222 -0.924 . . . . 0.60999999999999999 110.444 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.54 -40.0 94.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.997 -1.065 . . . . 0.33000000000000002 109.454 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -54.34 -44.58 72.23 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.2 -0.937 . . . . 3.2799999999999998 108.779 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -47.97 83.65 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.116 -0.99 . . . . 1.78 108.582 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.11 -43.83 97.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.124 -0.985 . . . . 0.38 109.124 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.317 -0.864 . . . . 1.2 109.238 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.49 -39.97 89.63 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.472 -0.768 . . . . 2.1200000000000001 109.549 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.85 -48.71 80.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.395 -0.815 . . . . 0.26000000000000001 109.681 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.49 -40.96 96.46 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.186 -0.946 . . . . 0.40000000000000002 109.538 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.02 -43.6 95.16 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.09 -1.006 . . . . 2.0899999999999999 109.561 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -62.13 -52.51 63.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.178 -0.951 . . . . 0.75 109.292 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -63.25 -45.27 92.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.489 -0.757 . . . . 2.1899999999999999 109.778 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.54 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 62.5 m-20 -60.17 -40.11 88.78 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.344 -0.848 . . . . 1.3400000000000001 109.824 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.65 72.31 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.182 -0.949 . . . . 0.71999999999999997 109.369 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.21 -37.42 75.06 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.422 -0.799 . . . . 1.8 109.579 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.32 93.78 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 1.3899999999999999 109.744 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.47 58.43 2.89 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.626 -1.39 . . . . 1.6599999999999999 109.626 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -85.15 130.46 34.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.332 -1.099 . . . . 4.4500000000000002 109.553 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -57.96 149.16 56.67 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.233 -0.917 . . . . 6.1900000000000004 108.946 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.5 146.02 54.86 Favored 'Trans proline' 0 C--N 1.324 -0.745 0 C-N-CA 120.844 1.029 . . . . 5.5800000000000001 109.711 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 117.97 -1.461 . . . . 6.9000000000000004 109.457 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' D' ' 2' ' ' LYS . 97.8 mttt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.115 -0.698 . . . . 7.3600000000000003 109.115 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' D' ' 1' ' ' LYS . 96.9 mttt 96.59 101.92 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.613 0 C-N-CA 123.641 0.776 . . . . 7.1500000000000004 109.58 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' D' ' 5' ' ' LEU . 24.0 mmtp 51.85 68.97 2.74 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.714 -0.616 . . . . 6.5 110.545 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.45 59.74 0.26 Allowed 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.517 1.478 . . . . 4.5 109.642 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' D' ' 3' ' ' LYS . 87.7 mt -82.26 47.57 1.16 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.968 -1.083 . . . . 4.3200000000000003 109.338 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -78.98 -98.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.251 -0.905 . . . . 2.46 109.86 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . 0.402 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -70.6 145.74 40.88 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.583 -1.407 . . . . 0.96999999999999997 109.583 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.31 139.46 57.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.262 -1.14 . . . . 1.6699999999999999 109.287 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 95.6 m-85 -109.72 141.92 41.65 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.395 -0.816 . . . . 0.60999999999999999 109.736 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -134.97 140.06 45.4 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.425 -0.797 . . . . 0.56000000000000005 109.533 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.93 155.51 19.47 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 109.14 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.46 128.85 15.88 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.082 -1.011 . . . . 0.34999999999999998 109.253 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -84.54 128.15 34.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.316 -0.865 . . . . 1.3700000000000001 109.165 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.99 61.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.368 -0.833 . . . . 0.47999999999999998 110.29 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -75.86 145.98 40.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.447 -0.783 . . . . 2.0800000000000001 109.751 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.01 122.43 0.94 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.042 -1.223 . . . . 0.40000000000000002 110.042 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' D' ' 17' ' ' ARG . 30.9 ttt-85 -67.64 -42.37 82.4 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.085 -1.244 . . . . 2.6400000000000001 109.062 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -60.21 -41.12 92.35 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.093 -1.005 . . . . 2.2200000000000002 108.902 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 38.8 ttm180 -60.29 -39.99 88.86 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.453 -0.78 . . . . 2.7400000000000002 109.182 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.02 -46.91 87.95 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.484 -0.76 . . . . 0.42999999999999999 109.561 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.01 -39.94 87.56 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.213 -0.93 . . . . 1.6899999999999999 109.689 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.3 ttp -60.15 -50.46 73.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.172 -0.955 . . . . 0.42999999999999999 110.281 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -64.74 -39.93 94.46 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.02 -1.05 . . . . 0.27000000000000002 109.608 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -54.66 -44.12 73.0 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.231 -0.918 . . . . 2.4500000000000002 108.659 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.93 -48.06 83.24 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.157 -0.965 . . . . 1.75 108.597 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.45 -43.6 96.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 0.31 109.216 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.98 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.331 -0.856 . . . . 1.22 109.201 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 -40.04 90.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.441 -0.787 . . . . 1.73 109.466 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.63 -48.59 81.08 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.331 -0.855 . . . . 0.28000000000000003 109.677 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.74 -41.1 97.21 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.247 -0.908 . . . . 0.31 109.472 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.13 -43.32 95.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.951 . . . . 1.9099999999999999 109.5 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.4 tp -62.05 -52.42 64.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 109.321 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -63.57 -45.23 91.4 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.403 -0.81 . . . . 1.5700000000000001 109.781 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.527 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 65.8 m-20 -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.325 -0.859 . . . . 1.4399999999999999 110.007 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.14 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.64000000000000001 109.478 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.08 -37.39 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.456 -0.777 . . . . 1.21 109.664 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.99 93.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.271 -0.893 . . . . 1.22 109.652 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.52 58.39 2.91 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.582 -1.407 . . . . 1.5 109.582 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -85.02 131.9 34.4 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.202 -1.175 . . . . 4.1799999999999997 109.451 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.92 148.59 76.32 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 5.6699999999999999 108.91 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -53.63 146.69 42.63 Favored 'Trans proline' 0 C--N 1.323 -0.801 0 C-N-CA 120.864 1.042 . . . . 5.6500000000000004 109.703 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 CA-C-O 117.927 -1.485 . . . . 7.2699999999999996 109.485 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.465 -0.569 . . . . 7.3300000000000001 109.465 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 3' ' ' LYS . 68.2 mttm 58.87 -5.49 0.06 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.858 -0.526 . . . . 7.21 111.021 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 1' ' ' LYS . 80.9 tttt 39.33 73.61 0.79 Allowed Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.234 -0.916 . . . . 6.4699999999999998 110.592 178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.75 172.35 8.36 Favored 'Trans proline' 0 C--N 1.315 -1.211 0 C-N-CA 121.343 1.362 . . . . 4.5300000000000002 109.696 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -81.82 121.71 26.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.172 -0.955 . . . . 4.3499999999999996 108.702 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.13 170.16 16.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.312 -0.868 . . . . 2.48 109.249 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.8 149.01 51.58 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 108.755 -1.738 . . . . 0.97999999999999998 108.755 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.01 136.25 57.96 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.089 -1.242 . . . . 1.7 109.591 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.38 147.25 23.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.566 -0.709 . . . . 0.60999999999999999 109.524 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -137.48 140.85 41.45 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.37 -0.831 . . . . 0.57999999999999996 109.396 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.41 156.78 18.94 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.244 -0.91 . . . . 0.41999999999999998 109.241 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -147.17 130.07 16.23 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.121 -0.987 . . . . 0.35999999999999999 109.223 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.46 128.86 34.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.479 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.45 119.99 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.46999999999999997 109.346 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 2.0 tmm_? -79.89 130.65 35.47 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.414 -0.804 . . . . 2.1000000000000001 109.943 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.41 114.03 3.9 Favored Glycine 0 N--CA 1.5 2.925 0 N-CA-C 110.138 -1.185 . . . . 0.41999999999999998 110.138 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -60.11 -46.83 88.28 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.341 -1.094 . . . . 2.6800000000000002 109.254 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.99 -40.1 88.0 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.017 -1.052 . . . . 2.2200000000000002 109.042 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.611 ' NH1' HD22 ' C' ' 30' ' ' LEU . 8.0 tpp180 -62.04 -40.02 94.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.426 -0.796 . . . . 2.77 109.114 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.11 -45.95 89.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.392 -0.818 . . . . 0.42999999999999999 108.9 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.91 -40.79 90.01 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.245 -0.909 . . . . 1.6599999999999999 108.874 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.9 ttp -62.14 -50.15 73.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.44 109.297 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.92 -39.97 96.16 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.442 -0.786 . . . . 0.28999999999999998 109.387 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.47 -43.19 88.82 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.138 -0.976 . . . . 2.4399999999999999 108.48 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' OE2' ' NH1' ' D' ' 19' ' ' ARG . 88.3 tt0 -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.337 -0.852 . . . . 1.74 108.986 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.87 -43.47 98.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.29999999999999999 109.238 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.82 84.31 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.426 -0.797 . . . . 1.22 109.137 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.58 -40.02 93.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.549 -0.719 . . . . 1.72 109.988 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.54 -47.32 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.21 -0.931 . . . . 0.27000000000000002 109.523 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD22 ' NH1' ' C' ' 19' ' ' ARG . 81.5 mt -62.38 -40.93 98.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.186 -0.946 . . . . 0.28999999999999998 109.608 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.16 -44.6 94.89 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.255 -0.903 . . . . 1.9099999999999999 109.58 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 HD21 ' NE2' ' B' ' 36' ' ' GLN . 58.8 tp -60.13 -49.99 75.44 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.157 -0.964 . . . . 0.40999999999999998 109.428 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -61.12 -40.06 92.38 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.318 -0.864 . . . . 1.5600000000000001 109.255 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD2' ' NH2' ' C' ' 15' ' ' ARG . 90.5 m-20 -60.0 -39.96 87.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 1.4299999999999999 109.623 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.67 88.4 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.282 -0.886 . . . . 0.66000000000000003 109.423 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.56 -10.12 59.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.163 -0.961 . . . . 1.1799999999999999 109.723 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.85 -20.01 63.43 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.057 -1.027 . . . . 1.23 109.479 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.77 9.89 34.73 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.553 -1.419 . . . . 1.54 109.553 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -83.04 129.99 35.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.139 -1.212 . . . . 4.1799999999999997 109.31 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.44 149.08 62.11 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 5.71 109.049 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -56.3 154.74 27.72 Favored 'Trans proline' 0 C--N 1.324 -0.746 0 C-N-CA 120.925 1.083 . . . . 5.6100000000000003 109.778 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.507 -1.437 . . . . 7.2400000000000002 109.507 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' B' ' 3' ' ' LYS . 67.8 mttm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.376 -0.602 . . . . 7.3399999999999999 109.376 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' B' ' 3' ' ' LYS . 68.3 mttm 59.55 -6.73 0.06 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.896 -0.503 . . . . 7.1699999999999999 110.848 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' B' ' 1' ' ' LYS . 80.9 tttt 40.57 74.11 0.77 Allowed Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.124 -0.985 . . . . 6.4400000000000004 110.783 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.52 171.29 10.88 Favored 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 121.384 1.39 . . . . 4.54 109.841 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.87 121.03 25.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 4.3200000000000003 109.011 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.37 166.66 21.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.862 . . . . 2.4700000000000002 109.563 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.93 148.17 43.02 Favored Glycine 0 N--CA 1.489 2.176 0 N-CA-C 108.939 -1.664 . . . . 0.94999999999999996 108.939 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.91 137.18 58.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.045 -1.267 . . . . 1.6100000000000001 109.49 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.22 147.37 23.83 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.48 -0.762 . . . . 0.56999999999999995 109.538 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -137.54 141.13 41.4 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.331 -0.856 . . . . 0.53000000000000003 109.358 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 58.0 p -88.35 157.26 18.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.166 -0.959 . . . . 0.38 109.173 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.41 130.08 16.0 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.17 -0.956 . . . . 0.35999999999999999 109.178 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' D' ' 9' ' ' TYR . 7.4 tt0 -84.39 128.39 34.56 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.375 -0.828 . . . . 1.3600000000000001 109.471 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.95 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 121.431 -0.793 . . . . 0.48999999999999999 109.413 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.505 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 1.9 tmm_? -79.54 131.45 36.03 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.3 -0.875 . . . . 2.1000000000000001 109.815 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.56 114.32 3.94 Favored Glycine 0 N--CA 1.5 2.951 0 N-CA-C 110.326 -1.109 . . . . 0.44 110.326 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.96 -47.2 86.77 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.335 -1.097 . . . . 2.7200000000000002 109.265 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.004 -1.06 . . . . 2.21 109.14 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.565 ' NH1' HD22 ' D' ' 30' ' ' LEU . 8.7 tpp180 -61.91 -39.95 93.78 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.397 -0.815 . . . . 2.79 108.945 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.07 -46.17 88.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.421 -0.8 . . . . 0.45000000000000001 108.917 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 -40.12 87.75 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.219 -0.926 . . . . 1.6799999999999999 108.722 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.48 -49.99 73.2 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.469 -0.769 . . . . 0.42999999999999999 109.388 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -63.23 -40.05 96.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.399 -0.813 . . . . 0.28000000000000003 109.487 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -58.32 -42.84 87.62 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.087 -1.008 . . . . 2.52 108.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.51 ' OE2' ' NH1' ' C' ' 19' ' ' ARG . 88.9 tt0 -60.07 -48.24 82.54 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.39 -0.819 . . . . 1.75 108.972 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.42 -43.63 98.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 0.31 109.14 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -60.03 -47.91 83.91 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.831 . . . . 1.21 109.283 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.45 -40.01 92.92 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.558 -0.714 . . . . 1.6899999999999999 110.1 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.463 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.8 -46.61 88.69 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.16 -0.963 . . . . 0.27000000000000002 109.562 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.619 HD22 ' NH1' ' D' ' 19' ' ' ARG . 82.9 mt -62.71 -41.15 99.0 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.635 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.437 -0.789 . . . . 1.9299999999999999 109.595 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.04 -49.94 75.69 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.23 -0.919 . . . . 0.40000000000000002 109.382 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -61.14 -40.08 92.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.319 -0.863 . . . . 1.5900000000000001 109.336 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.521 ' OD2' ' NH2' ' D' ' 15' ' ' ARG . 86.8 m-20 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.639 -0.663 . . . . 1.4299999999999999 109.762 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.02 90.2 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.236 -0.915 . . . . 0.65000000000000002 109.532 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.4 ' NE2' HD21 ' A' ' 32' ' ' LEU . 27.6 mt-30 -80.13 -9.87 59.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.102 -0.999 . . . . 1.1899999999999999 109.792 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.01 -19.89 63.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.115 -0.991 . . . . 1.22 109.384 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.94 10.16 34.47 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.618 -1.393 . . . . 1.53 109.618 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.37 130.3 35.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -1.179 . . . . 4.21 109.337 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -58.79 148.72 67.37 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 5.6799999999999997 109.041 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -56.07 154.31 28.44 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 C-N-CA 120.915 1.077 . . . . 5.5700000000000003 109.942 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 118.053 -1.415 . . . . 7.2000000000000002 109.574 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.529 ' C ' ' H ' ' C' ' 3' ' ' LYS . 67.6 mttm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.479 -0.564 . . . . 8.9600000000000009 109.479 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' C' ' 3' ' ' LYS . 68.2 mttm 58.77 -6.33 0.05 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.786 -0.572 . . . . 8.1500000000000004 111.001 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.529 ' H ' ' C ' ' C' ' 1' ' ' LYS . 81.0 tttt 40.03 74.11 0.75 Allowed Pre-proline 0 N--CA 1.499 2.011 0 O-C-N 121.183 -0.948 . . . . 7.1500000000000004 110.599 178.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -66.46 171.97 9.81 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 121.419 1.413 . . . . 4.3499999999999996 109.7 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.35 120.88 25.51 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.193 -0.942 . . . . 4.6299999999999999 108.752 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -80.03 169.79 17.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.318 -0.864 . . . . 2.8500000000000001 109.077 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.61 149.35 50.36 Favored Glycine 0 N--CA 1.488 2.1 0 N-CA-C 108.645 -1.782 . . . . 1.1200000000000001 108.645 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.13 136.48 58.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.179 -1.189 . . . . 2.1099999999999999 109.466 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.77 147.27 23.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.348 -0.845 . . . . 0.64000000000000001 109.498 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -137.23 141.53 42.06 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.403 -0.811 . . . . 0.48999999999999999 109.286 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 66.3 p -89.11 156.52 18.77 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.46999999999999997 109.185 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -146.78 129.96 16.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.066 -1.021 . . . . 0.41999999999999998 109.172 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.31 128.62 34.68 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.242 -0.911 . . . . 1.8100000000000001 109.373 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 120.04 61.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.514 -0.741 . . . . 0.41999999999999998 109.267 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.48 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 1.7 tmm_? -79.4 131.23 36.04 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.338 -0.851 . . . . 2.3500000000000001 109.766 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.88 114.26 3.94 Favored Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.48 -1.048 . . . . 0.40999999999999998 110.48 178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.04 -47.12 87.15 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.334 -1.098 . . . . 2.5899999999999999 109.249 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -60.05 -40.41 89.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.897 -1.127 . . . . 2.54 109.076 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.533 ' NH1' HD22 ' A' ' 30' ' ' LEU . 8.6 tpp180 -61.58 -40.08 93.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.432 -0.792 . . . . 3.3900000000000001 108.973 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.29 -46.29 88.96 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.448 -0.782 . . . . 0.46999999999999997 109.082 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.88 -40.1 87.54 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.174 -0.954 . . . . 1.6599999999999999 108.57 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 32.8 ttp -62.32 -49.87 73.91 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.33 -0.856 . . . . 0.60999999999999999 109.349 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -63.64 -40.04 95.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.448 -0.782 . . . . 0.33000000000000002 109.43 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -58.34 -42.81 87.66 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.003 -1.06 . . . . 3.2799999999999998 108.517 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . 0.501 ' OE2' ' NH1' ' B' ' 19' ' ' ARG . 89.0 tt0 -59.97 -48.39 81.92 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.287 -0.883 . . . . 1.78 108.969 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.12 -43.92 98.14 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.404 -0.81 . . . . 0.38 109.259 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -60.12 -47.53 85.53 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.427 -0.796 . . . . 1.2 109.255 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.76 -39.9 93.24 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.518 -0.739 . . . . 2.1200000000000001 109.917 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.87 -46.79 88.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.147 -0.971 . . . . 0.26000000000000001 109.549 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.611 HD22 ' NH1' ' A' ' 19' ' ' ARG . 83.2 mt -62.52 -41.12 98.64 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.157 -0.964 . . . . 0.40000000000000002 109.667 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.23 -44.42 95.21 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.233 -0.917 . . . . 2.0899999999999999 109.673 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.14 -49.9 75.8 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.175 -0.953 . . . . 0.75 109.175 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.57 -39.97 93.06 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.18 -0.95 . . . . 2.1899999999999999 109.212 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.492 ' OD2' ' NH2' ' A' ' 15' ' ' ARG . 89.8 m-20 -59.96 -40.12 87.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.468 -0.77 . . . . 1.3400000000000001 109.657 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.98 88.07 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.228 -0.92 . . . . 0.71999999999999997 109.644 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.417 ' NE2' HD21 ' D' ' 32' ' ' LEU . 27.5 mt-30 -80.25 -10.0 59.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.225 -0.922 . . . . 1.8 109.81 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.99 -19.78 63.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.145 -0.972 . . . . 1.3899999999999999 109.424 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.18 9.58 39.28 Favored Glycine 0 N--CA 1.492 2.369 0 N-CA-C 109.63 -1.388 . . . . 1.6599999999999999 109.63 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -82.72 130.75 35.17 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.278 -1.131 . . . . 4.4500000000000002 109.398 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.24 148.74 71.11 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.23 -0.919 . . . . 6.1900000000000004 109.15 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -55.96 154.24 28.14 Favored 'Trans proline' 0 C--N 1.323 -0.78 0 C-N-CA 121.039 1.159 . . . . 5.5800000000000001 109.697 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.454 -1.458 . . . . 6.9000000000000004 109.454 -179.874 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' D' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.432 -0.581 . . . . 7.3600000000000003 109.432 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' D' ' 3' ' ' LYS . 68.2 mttm 59.49 -6.7 0.06 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.871 -0.518 . . . . 7.1500000000000004 110.823 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' D' ' 1' ' ' LYS . 81.1 tttt 40.14 74.07 0.76 Allowed Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.179 -0.95 . . . . 6.5 110.525 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -66.36 172.44 8.98 Favored 'Trans proline' 0 C--N 1.317 -1.127 0 C-N-CA 121.525 1.483 . . . . 4.5 109.567 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 86.4 mt -82.18 121.29 26.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.121 -0.987 . . . . 4.3200000000000003 108.829 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.05 169.73 17.44 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.295 -0.878 . . . . 2.46 109.339 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.72 148.75 50.66 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 108.635 -1.786 . . . . 0.96999999999999997 108.635 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.95 136.93 58.16 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.181 -1.188 . . . . 1.6699999999999999 109.378 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.433 ' CD2' ' OE1' ' B' ' 13' ' ' GLN . 97.8 m-85 -96.18 146.67 24.48 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.423 -0.798 . . . . 0.60999999999999999 109.544 -179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -136.81 141.35 42.89 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.407 -0.808 . . . . 0.56000000000000005 109.439 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -88.57 157.23 18.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.322 -0.861 . . . . 0.42999999999999999 109.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.9 tp -147.46 129.99 15.88 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.073 -1.017 . . . . 0.34999999999999998 109.163 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -84.39 128.85 34.82 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.242 -0.911 . . . . 1.3700000000000001 109.491 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.12 119.97 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.459 -0.776 . . . . 0.47999999999999998 109.348 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . 0.521 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 1.8 tmm_? -79.73 130.75 35.61 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.327 -0.858 . . . . 2.0800000000000001 109.914 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.94 114.58 3.98 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.281 -1.128 . . . . 0.40000000000000002 110.281 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -59.93 -47.34 86.18 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.463 -1.022 . . . . 2.6400000000000001 109.422 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.0 -40.13 88.12 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.908 -1.12 . . . . 2.2200000000000002 108.999 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.619 ' NH1' HD22 ' B' ' 30' ' ' LEU . 8.0 tpp180 -61.93 -39.95 93.84 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.329 -0.857 . . . . 2.7400000000000002 109.009 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -59.02 -45.99 89.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.866 -0.79 . . . . 0.42999999999999999 108.866 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 -40.39 88.82 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.187 -0.946 . . . . 1.6899999999999999 108.972 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 33.8 ttp -62.66 -50.0 72.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.345 -0.847 . . . . 0.42999999999999999 109.233 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -62.97 -40.02 96.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.408 -0.807 . . . . 0.27000000000000002 109.437 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.67 -42.72 89.09 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.044 -1.035 . . . . 2.4500000000000002 108.38 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 88.1 tt0 -60.18 -47.99 83.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.896 . . . . 1.75 108.936 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.39 -44.0 97.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.255 -0.903 . . . . 0.31 109.202 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -59.98 -47.32 86.31 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.406 -0.809 . . . . 1.22 109.354 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.95 -40.09 94.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.594 -0.691 . . . . 1.73 109.878 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.484 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.88 -46.01 90.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.242 -0.911 . . . . 0.28000000000000003 109.651 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.565 HD22 ' NH1' ' B' ' 19' ' ' ARG . 80.8 mt -63.57 -40.58 97.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.09 -1.006 . . . . 0.31 109.339 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -60.14 -44.93 94.58 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.269 -0.894 . . . . 1.9099999999999999 109.78 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.417 HD21 ' NE2' ' C' ' 36' ' ' GLN . 58.9 tp -60.05 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.216 -0.928 . . . . 0.42999999999999999 109.347 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.07 -40.19 92.73 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.239 -0.913 . . . . 1.5700000000000001 109.201 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.505 ' OD2' ' NH2' ' B' ' 15' ' ' ARG . 90.2 m-20 -59.89 -40.12 87.63 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.524 -0.735 . . . . 1.4399999999999999 109.655 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.06 89.1 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.266 -0.896 . . . . 0.64000000000000001 109.501 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -80.2 -9.87 59.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.272 -0.893 . . . . 1.21 109.797 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.03 -19.94 63.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.13 -0.981 . . . . 1.22 109.452 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.76 9.19 38.36 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.557 -1.417 . . . . 1.5 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -82.34 131.01 35.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.292 -1.122 . . . . 4.1799999999999997 109.414 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 148.28 77.1 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.351 -0.843 . . . . 5.6699999999999999 109.142 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -55.54 154.12 26.26 Favored 'Trans proline' 0 C--N 1.324 -0.713 0 C-N-CA 121.138 1.225 . . . . 5.6500000000000004 109.921 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 117.957 -1.468 . . . . 7.2699999999999996 109.519 179.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.661 -0.496 . . . . 7.3300000000000001 109.661 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 32.3 ttmt 46.7 92.04 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.323 -0.861 . . . . 7.21 109.135 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 5' ' ' LEU . 42.1 mttp 89.68 71.05 0.04 OUTLIER Pre-proline 0 N--CA 1.51 2.541 0 C-N-CA 123.086 0.555 . . . . 6.4699999999999998 109.879 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -65.16 12.85 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.932 0 C-N-CA 121.73 1.62 . . . . 4.5300000000000002 110.153 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 3' ' ' LYS . 87.2 mt -81.28 123.09 28.21 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.072 -1.018 . . . . 4.3499999999999996 109.311 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -82.95 -110.78 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.329 -0.857 . . . . 2.48 109.961 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.26 143.75 39.79 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 110.002 -1.239 . . . . 0.97999999999999998 110.002 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.77 140.02 57.72 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.385 -1.068 . . . . 1.7 109.734 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.9 146.61 24.44 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.558 -0.714 . . . . 0.60999999999999999 109.373 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -136.33 140.83 43.61 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.28 -0.888 . . . . 0.57999999999999996 110.041 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -89.9 152.12 21.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.406 -0.809 . . . . 0.41999999999999998 109.082 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -143.56 130.47 20.48 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.16 -0.963 . . . . 0.35999999999999999 109.165 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -84.87 128.56 34.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.331 -0.856 . . . . 1.3700000000000001 109.328 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.02 124.38 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.521 -0.737 . . . . 0.46999999999999997 110.023 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -75.35 143.86 42.62 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.518 -0.738 . . . . 2.1000000000000001 110.439 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.24 121.84 0.93 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 110.646 -0.982 . . . . 0.41999999999999998 110.646 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 17' ' ' ARG . 37.9 ttt-85 -67.19 -42.74 83.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.375 -1.074 . . . . 2.6800000000000002 109.041 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -43.18 95.66 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.057 -1.027 . . . . 2.2200000000000002 108.451 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.476 HH12 ' CD ' ' D' ' 25' ' ' GLU . 10.3 tpp180 -60.41 -39.98 89.33 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.474 -0.766 . . . . 2.77 108.936 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -58.3 -45.23 88.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.202 -0.936 . . . . 0.42999999999999999 108.876 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.46 -40.05 85.63 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.253 -0.904 . . . . 1.6599999999999999 108.633 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 29.7 ttp -62.52 -49.94 73.34 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.278 -0.889 . . . . 0.44 109.301 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -61.81 -40.02 93.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.335 -0.853 . . . . 0.28999999999999998 109.207 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.79 -44.54 77.86 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.094 -1.004 . . . . 2.4399999999999999 108.586 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' CD ' HH12 ' D' ' 19' ' ' ARG . 88.7 tt0 -59.92 -47.95 83.68 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.401 -0.812 . . . . 1.74 109.388 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.25 -44.36 97.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.16 -0.963 . . . . 0.29999999999999999 109.397 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -49.92 75.75 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.289 -0.882 . . . . 1.22 109.279 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.15 -39.86 91.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.45 -0.781 . . . . 1.72 109.94 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.712 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -57.8 -48.98 78.15 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.066 -1.021 . . . . 0.27000000000000002 109.803 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.35 -41.59 98.71 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.07 -1.018 . . . . 0.28999999999999998 109.301 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.08 -42.74 95.23 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.327 -0.858 . . . . 1.9099999999999999 109.601 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.04 -50.03 75.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.181 -0.949 . . . . 0.40999999999999998 109.216 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.7 -46.88 87.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 1.5600000000000001 109.319 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.21 -40.06 88.76 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.574 -0.704 . . . . 1.4299999999999999 109.978 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.225 -0.922 . . . . 0.66000000000000003 109.955 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -81.01 -9.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.034 -1.042 . . . . 1.1799999999999999 109.478 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.4 84.57 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 1.23 109.419 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.7 44.33 2.73 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.909 -1.276 . . . . 1.54 109.909 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -83.68 150.97 25.53 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.07 -1.253 . . . . 4.1799999999999997 109.537 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -55.87 150.01 30.21 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 5.71 108.874 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -53.24 163.23 2.46 Favored 'Trans proline' 0 C--N 1.322 -0.864 0 C-N-CA 121.005 1.136 . . . . 5.6100000000000003 109.846 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.503 -1.439 . . . . 7.2400000000000002 109.503 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' B' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.758 -0.46 . . . . 7.3399999999999999 109.758 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 32.2 ttmt 46.68 91.77 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.3 -0.875 . . . . 7.1699999999999999 109.161 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' B' ' 5' ' ' LEU . 41.8 mttp 89.74 70.69 0.04 OUTLIER Pre-proline 0 N--CA 1.511 2.583 0 C-N-CA 123.037 0.535 . . . . 6.4400000000000004 109.957 -179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.77 13.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.321 -0.875 0 C-N-CA 121.736 1.624 . . . . 4.54 110.235 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' B' ' 3' ' ' LYS . 86.8 mt -81.5 122.87 28.09 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.02 -1.05 . . . . 4.3200000000000003 109.354 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -82.77 -110.53 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.32 -0.863 . . . . 2.4700000000000002 109.942 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.73 143.35 38.28 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.933 -1.267 . . . . 0.94999999999999996 109.933 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.55 139.99 57.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -1.068 . . . . 1.6100000000000001 109.803 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.98 147.38 23.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.357 -0.839 . . . . 0.56999999999999995 109.429 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -136.84 141.53 42.83 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.271 -0.893 . . . . 0.53000000000000003 110.002 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.0 p -90.8 151.34 21.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.51 -0.744 . . . . 0.38 109.085 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.73 130.28 21.29 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.267 -0.895 . . . . 0.35999999999999999 109.179 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.18 128.82 34.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.252 -0.905 . . . . 1.3600000000000001 109.242 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.42 124.19 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.553 -0.717 . . . . 0.48999999999999999 109.794 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -75.09 144.5 42.88 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.552 -0.717 . . . . 2.1000000000000001 110.285 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.58 121.42 0.81 Allowed Glycine 0 N--CA 1.495 2.598 0 C-N-CA 120.396 -0.907 . . . . 0.44 110.88 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.42 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 38.1 ttt-85 -66.82 -42.92 85.07 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.315 -1.109 . . . . 2.7200000000000002 109.174 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.91 -43.23 94.97 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.039 -1.038 . . . . 2.21 108.381 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.564 HH12 ' CD ' ' C' ' 25' ' ' GLU . 10.1 tpp180 -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.417 -0.802 . . . . 2.79 108.985 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.43 -45.06 89.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.36 -0.838 . . . . 0.45000000000000001 109.06 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.42 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 99.3 mt-10 -59.87 -40.04 87.31 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.259 -0.901 . . . . 1.6799999999999999 108.572 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 28.2 ttp -62.2 -50.44 71.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.368 -0.833 . . . . 0.42999999999999999 109.305 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.67 -40.03 93.52 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.386 -0.821 . . . . 0.28000000000000003 109.189 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.6 -44.5 77.03 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.219 -0.925 . . . . 2.52 108.66 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.551 ' CD ' HH12 ' C' ' 19' ' ' ARG . 88.4 tt0 -60.03 -48.31 82.24 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.361 -0.837 . . . . 1.75 109.332 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.87 -44.33 97.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.2 -0.938 . . . . 0.31 109.307 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.03 -50.05 75.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.292 -0.88 . . . . 1.21 109.324 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.01 -39.72 90.79 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.479 -0.763 . . . . 1.6899999999999999 109.931 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.712 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.05 -49.33 77.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.159 -0.963 . . . . 0.27000000000000002 109.634 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.92 -41.65 98.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.014 . . . . 0.29999999999999999 109.352 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 -42.77 95.16 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.299 -0.876 . . . . 1.9299999999999999 109.718 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 63.3 tp -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.326 -0.858 . . . . 0.40000000000000002 109.203 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -61.64 -47.33 85.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.413 -0.805 . . . . 1.5900000000000001 109.352 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -59.95 -39.98 87.44 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.625 -0.672 . . . . 1.4299999999999999 110.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.08 95.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.885 . . . . 0.65000000000000002 109.768 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.69 -9.89 59.77 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.156 -0.965 . . . . 1.1899999999999999 109.643 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.12 82.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.122 -0.986 . . . . 1.22 109.363 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.11 44.8 2.89 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.944 -1.263 . . . . 1.53 109.944 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -83.93 151.11 25.25 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.147 -1.208 . . . . 4.21 109.398 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.87 149.97 30.48 Favored Pre-proline 0 N--CA 1.488 1.466 0 O-C-N 121.174 -0.954 . . . . 5.6799999999999997 109.015 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -53.12 162.68 2.67 Favored 'Trans proline' 0 C--N 1.323 -0.772 0 C-N-CA 121.118 1.212 . . . . 5.5700000000000003 109.907 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.476 -1.449 . . . . 7.2000000000000002 109.476 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' C' ' 2' ' ' LYS . 1.1 ptpm? . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.727 -0.471 . . . . 8.9600000000000009 109.727 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.454 ' O ' ' CB ' ' C' ' 3' ' ' LYS . 32.1 ttmt 46.68 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.171 -0.956 . . . . 8.1500000000000004 109.171 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' C' ' 5' ' ' LEU . 42.3 mttp 90.07 70.94 0.04 OUTLIER Pre-proline 0 N--CA 1.509 2.51 0 C-N-CA 123.13 0.572 . . . . 7.1500000000000004 109.886 -179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' H ' ' C' ' 3' ' ' LYS . 2.6 Cg_endo -65.15 12.94 0.11 Allowed 'Trans proline' 0 C--N 1.32 -0.929 0 C-N-CA 121.674 1.583 . . . . 4.3499999999999996 110.328 179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' C' ' 3' ' ' LYS . 87.4 mt -81.56 122.87 28.12 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.928 -1.107 . . . . 4.6299999999999999 109.295 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -82.87 -109.31 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.219 -0.926 . . . . 2.8500000000000001 110.047 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.4 143.29 37.02 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.984 -1.246 . . . . 1.1200000000000001 109.984 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.36 139.97 57.38 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.348 -1.089 . . . . 2.1099999999999999 109.641 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -96.2 146.41 24.71 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.488 -0.758 . . . . 0.64000000000000001 109.336 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -136.2 140.82 43.84 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.275 -0.891 . . . . 0.48999999999999999 109.964 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.84 154.09 20.16 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.847 . . . . 0.46999999999999997 108.998 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.2 tp -145.19 129.91 18.11 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.076 -1.015 . . . . 0.41999999999999998 109.211 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.02 128.78 34.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 1.8100000000000001 109.433 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.16 124.29 72.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 121.521 -0.737 . . . . 0.41999999999999998 109.847 -179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -75.22 144.39 42.65 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.419 -0.8 . . . . 2.3500000000000001 110.252 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.57 121.91 0.84 Allowed Glycine 0 N--CA 1.496 2.657 0 N-CA-C 110.728 -0.949 . . . . 0.40999999999999998 110.728 178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.423 ' HG2' HH11 ' C' ' 17' ' ' ARG . 36.4 ttt-85 -67.25 -42.41 83.97 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.395 -1.062 . . . . 2.5899999999999999 109.195 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.4 -43.15 96.94 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.321 -0.992 . . . . 2.54 108.321 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.551 HH12 ' CD ' ' B' ' 25' ' ' GLU . 9.9 tpp180 -60.35 -39.92 88.87 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.949 -0.76 . . . . 3.3900000000000001 108.949 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -59.0 -44.27 91.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.46999999999999997 108.979 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.93 -40.02 87.49 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.251 -0.906 . . . . 1.6599999999999999 108.566 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . 0.522 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 28.9 ttp -62.52 -50.36 71.68 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.469 -0.769 . . . . 0.60999999999999999 109.499 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.72 -39.96 93.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.395 -0.815 . . . . 0.33000000000000002 109.136 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -55.52 -44.59 76.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.183 -0.948 . . . . 3.2799999999999998 108.691 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . 0.564 ' CD ' HH12 ' B' ' 19' ' ' ARG . 88.5 tt0 -60.09 -48.18 82.81 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.354 -0.841 . . . . 1.78 109.338 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.92 -44.5 97.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.147 -0.971 . . . . 0.38 109.331 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -59.92 -50.03 75.38 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.22 -0.925 . . . . 1.2 109.234 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.98 -40.04 91.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.506 -0.746 . . . . 2.1200000000000001 109.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -57.57 -49.97 74.63 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.213 -0.929 . . . . 0.26000000000000001 109.609 -179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.33 -41.88 97.76 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.058 -1.026 . . . . 0.40000000000000002 109.381 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.54 94.68 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.197 -0.939 . . . . 2.0899999999999999 109.467 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.277 -0.889 . . . . 0.75 109.257 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.71 -47.14 86.6 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.366 -0.834 . . . . 2.1899999999999999 109.259 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -59.97 -40.07 87.84 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.556 -0.715 . . . . 1.3400000000000001 110.01 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.0 94.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 0.71999999999999997 110.011 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -80.66 -9.93 59.76 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.141 -0.974 . . . . 1.8 109.566 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 -39.16 85.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.235 -0.916 . . . . 1.3899999999999999 109.509 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.31 43.68 2.55 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.011 -1.236 . . . . 1.6599999999999999 110.011 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -82.88 151.17 26.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.085 -1.244 . . . . 4.4500000000000002 109.515 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -55.97 150.27 30.02 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 6.1900000000000004 108.874 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.64 163.06 3.01 Favored 'Trans proline' 0 C--N 1.321 -0.869 0 C-N-CA 121.045 1.163 . . . . 5.5800000000000001 109.847 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 CA-C-O 117.935 -1.481 . . . . 6.9000000000000004 109.583 179.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 109.297 -0.631 . . . . 7.3600000000000003 109.297 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' D' ' 3' ' ' LYS . 32.0 ttmt 65.94 -12.25 0.18 Allowed 'General case' 0 N--CA 1.509 2.491 0 N-CA-C 114.219 1.192 . . . . 7.1500000000000004 114.219 177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' D' ' 2' ' ' LYS . 44.4 mttp -165.81 78.96 1.18 Allowed Pre-proline 0 C--N 1.283 -2.299 0 N-CA-C 105.857 -1.905 . . . . 6.5 105.857 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -62.64 11.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.318 -1.052 0 C-N-CA 121.114 1.209 . . . . 4.5 111.394 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' D' ' 3' ' ' LYS . 87.3 mt -83.38 121.25 26.9 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.901 -1.124 . . . . 4.3200000000000003 109.032 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -82.74 -108.4 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.209 -0.932 . . . . 2.46 109.869 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.35 142.83 36.31 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.83 -1.308 . . . . 0.96999999999999997 109.83 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.63 139.97 57.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.343 -1.092 . . . . 1.6699999999999999 109.787 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.68 147.31 23.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.406 -0.809 . . . . 0.60999999999999999 109.554 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -136.81 140.96 42.86 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.296 -0.877 . . . . 0.56000000000000005 110.062 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.8 p -90.45 151.29 21.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.378 -0.826 . . . . 0.42999999999999999 109.069 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 tp -142.52 130.53 21.86 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.34999999999999998 109.357 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -84.53 128.74 34.76 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.262 -0.899 . . . . 1.3700000000000001 109.257 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.33 123.96 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 O-C-N 121.488 -0.757 . . . . 0.47999999999999998 109.798 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -74.84 144.33 43.49 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.443 -0.786 . . . . 2.0800000000000001 110.379 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.8 121.17 0.82 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 110.766 -0.934 . . . . 0.40000000000000002 110.766 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' D' ' 17' ' ' ARG . 38.5 ttt-85 -66.52 -42.79 86.74 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.427 -1.043 . . . . 2.6400000000000001 109.24 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.08 -43.24 95.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.107 -0.996 . . . . 2.2200000000000002 108.407 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.412 HH12 ' CD ' ' A' ' 25' ' ' GLU . 10.2 tpp180 -60.24 -40.05 88.87 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.014 -0.736 . . . . 2.7400000000000002 109.014 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.55 -44.84 89.79 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.237 -0.915 . . . . 0.42999999999999999 109.051 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -40.0 87.2 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.17 -0.956 . . . . 1.6899999999999999 108.627 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.56 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 29.2 ttp -62.35 -49.96 73.5 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.375 -0.828 . . . . 0.42999999999999999 109.35 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.87 -39.96 93.7 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.333 -0.854 . . . . 0.27000000000000002 109.224 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -55.94 -44.47 78.41 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.139 -0.976 . . . . 2.4500000000000002 108.654 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . 0.476 ' CD ' HH12 ' A' ' 19' ' ' ARG . 88.6 tt0 -59.95 -47.99 83.53 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.532 -0.73 . . . . 1.75 109.321 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.29 -44.45 97.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.184 -0.948 . . . . 0.31 109.259 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -60.06 -49.97 75.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.242 -0.911 . . . . 1.22 109.249 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.87 -40.01 91.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.461 -0.774 . . . . 1.73 110.041 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.758 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -57.74 -49.58 76.11 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.192 -0.942 . . . . 0.28000000000000003 109.63 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.84 -41.37 97.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.04 -1.037 . . . . 0.31 109.499 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -42.73 96.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.313 -0.867 . . . . 1.9099999999999999 109.47 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 65.1 tp -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.42999999999999999 109.006 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -61.59 -47.3 86.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.839 . . . . 1.5700000000000001 109.49 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -60.07 -40.04 88.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.694 -0.629 . . . . 1.4399999999999999 110.045 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.97 94.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.64000000000000001 109.88 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.99 -9.66 59.81 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.16 -0.963 . . . . 1.21 109.526 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.62 -38.71 84.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.252 -0.905 . . . . 1.22 109.39 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.4 43.44 2.53 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.046 -1.222 . . . . 1.5 110.046 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -82.41 154.38 25.22 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.076 -1.249 . . . . 4.1799999999999997 109.274 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 150.02 70.92 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.227 -0.921 . . . . 5.6699999999999999 108.65 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -52.7 162.47 2.42 Favored 'Trans proline' 0 C--N 1.322 -0.822 0 C-N-CA 120.979 1.119 . . . . 5.6500000000000004 109.785 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.459 -1.457 . . . . 7.2699999999999996 109.459 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.189 -0.671 . . . . 7.3300000000000001 109.189 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.7 mttt 47.46 -117.55 0.84 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.255 -0.903 . . . . 7.21 109.799 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.7 tttp 48.96 65.91 6.45 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.135 -0.978 . . . . 6.4699999999999998 109.333 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.75 168.91 6.28 Favored 'Trans proline' 0 C--N 1.32 -0.971 0 C-N-CA 121.453 1.435 . . . . 4.5300000000000002 109.84 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 5' ' ' LEU . 9.7 mp -77.44 135.9 38.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 4.3499999999999996 109.099 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -80.55 121.29 25.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.324 -0.86 . . . . 2.48 110.166 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -71.2 148.8 44.78 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.252 -1.539 . . . . 0.97999999999999998 109.252 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.93 134.14 56.8 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.055 -1.261 . . . . 1.7 109.472 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 97.9 m-85 -109.99 145.22 37.35 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.427 -0.796 . . . . 0.60999999999999999 109.457 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.27 138.71 43.77 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.345 -0.847 . . . . 0.57999999999999996 109.292 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.1 p -88.37 157.08 18.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.385 -0.822 . . . . 0.41999999999999998 109.027 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -146.77 127.04 13.89 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.14 -0.975 . . . . 0.35999999999999999 109.359 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -84.6 128.86 34.82 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.657 -0.868 . . . . 1.3700000000000001 108.657 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.04 119.99 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.385 -0.822 . . . . 0.46999999999999997 109.681 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -77.5 138.03 38.98 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.606 -0.684 . . . . 2.1000000000000001 110.011 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.71 124.74 2.35 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 110.04 -1.224 . . . . 0.41999999999999998 110.04 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.507 HH11 ' HG2' ' A' ' 17' ' ' ARG . 14.1 ttt-85 -66.42 -42.45 87.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.227 -1.161 . . . . 2.6800000000000002 109.71 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.19 91.51 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 2.2200000000000002 108.643 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.477 -0.764 . . . . 2.77 108.998 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.94 -49.06 79.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.344 -0.848 . . . . 0.42999999999999999 109.554 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.55 -39.27 79.77 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.304 -0.873 . . . . 1.6599999999999999 109.119 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -59.96 -51.85 67.93 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.404 -0.81 . . . . 0.44 110.167 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -67.08 -39.74 86.85 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.062 -1.024 . . . . 0.28999999999999998 109.652 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -55.16 -41.78 72.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.2 -0.937 . . . . 2.4399999999999999 108.546 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -59.99 -49.47 77.55 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.222 -1.029 . . . . 1.74 108.222 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.4 -44.86 93.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.415 -0.803 . . . . 0.29999999999999999 109.536 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -59.95 -49.25 78.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 1.22 109.474 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.9 tt0 -60.2 -39.94 88.32 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.369 -0.832 . . . . 1.72 109.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.57 -46.62 88.37 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.278 -0.889 . . . . 0.27000000000000002 109.253 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.72 -41.21 97.32 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.202 -0.936 . . . . 0.28999999999999998 109.159 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.09 -42.5 94.79 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.274 -0.891 . . . . 1.9099999999999999 109.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.2 tp -60.2 -46.57 89.28 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.32 -0.862 . . . . 0.40999999999999998 108.793 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.02 -40.03 87.88 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.505 -0.747 . . . . 1.5600000000000001 109.446 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -59.03 -40.05 83.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.322 -0.861 . . . . 1.4299999999999999 108.884 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.31 77.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.215 -0.928 . . . . 0.66000000000000003 108.945 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -73.76 -24.14 59.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.37 -0.831 . . . . 1.1799999999999999 109.239 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.53 -9.54 49.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.23 -0.919 . . . . 1.23 109.389 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.49 7.26 54.63 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.305 -1.518 . . . . 1.54 109.305 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -83.81 129.7 34.94 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -1.083 . . . . 4.1799999999999997 109.347 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -59.62 149.92 68.9 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.306 -0.871 . . . . 5.71 109.236 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -57.78 143.18 95.97 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 120.931 1.088 . . . . 5.6100000000000003 109.522 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 117.992 -1.449 . . . . 7.2400000000000002 109.741 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.305 -0.628 . . . . 7.3399999999999999 109.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 mttt 47.27 -117.23 0.79 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.24 -0.913 . . . . 7.1699999999999999 109.777 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 49.5 tttp 48.91 65.46 7.07 Favored Pre-proline 0 N--CA 1.489 1.5 0 O-C-N 121.177 -0.952 . . . . 6.4400000000000004 109.359 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.7 168.92 6.2 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 121.275 1.317 . . . . 4.54 109.824 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.499 HD12 ' N ' ' B' ' 5' ' ' LEU . 9.7 mp -77.44 135.8 38.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.315 -0.866 . . . . 4.3200000000000003 108.954 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.09 124.55 28.85 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.352 -0.842 . . . . 2.4700000000000002 109.795 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -75.03 148.91 38.6 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 108.987 -1.645 . . . . 0.94999999999999996 108.987 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.44 134.06 56.7 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.198 -1.178 . . . . 1.6100000000000001 109.453 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.456 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 97.9 m-85 -110.07 144.82 38.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.55 -0.719 . . . . 0.56999999999999995 109.332 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.04 138.52 43.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.34 -0.85 . . . . 0.53000000000000003 109.307 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.2 p -88.03 157.25 18.95 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.3 -0.875 . . . . 0.38 109.125 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.8 tp -146.69 127.39 14.3 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.145 -0.972 . . . . 0.35999999999999999 109.311 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -85.09 128.73 34.77 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.567 -0.901 . . . . 1.3600000000000001 108.567 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -120.0 120.06 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.46 -0.775 . . . . 0.48999999999999999 109.745 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -77.44 138.12 39.07 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.62 -0.675 . . . . 2.1000000000000001 110.054 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.64 125.43 2.46 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.905 -1.278 . . . . 0.44 109.905 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' B' ' 17' ' ' ARG . 14.2 ttt-85 -67.64 -41.73 83.4 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.219 -1.165 . . . . 2.7200000000000002 109.604 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.99 -41.39 91.96 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.988 -1.07 . . . . 2.21 108.632 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.46 -39.93 89.36 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.486 -0.759 . . . . 2.79 109.098 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -59.98 -49.58 77.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.41 -0.806 . . . . 0.45000000000000001 109.43 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.1 -39.31 78.3 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.192 -0.942 . . . . 1.6799999999999999 109.266 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 64.5 ttp -60.05 -51.59 68.97 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.244 -0.91 . . . . 0.42999999999999999 110.023 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -67.33 -40.0 85.87 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.05 -1.031 . . . . 0.28000000000000003 109.762 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.79 -41.76 70.95 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.473 -0.936 . . . . 2.52 108.473 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -59.95 -49.88 75.95 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.284 -1.006 . . . . 1.75 108.284 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.32 -44.71 94.18 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.474 -0.766 . . . . 0.31 109.481 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -60.05 -49.13 78.86 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 1.21 109.359 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.09 -40.02 88.11 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 1.6899999999999999 109.246 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.61 -46.64 88.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.296 -0.877 . . . . 0.27000000000000002 109.334 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.91 -41.33 97.78 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.093 -1.004 . . . . 0.29999999999999999 109.256 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -59.99 -42.23 93.78 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.336 -0.853 . . . . 1.9299999999999999 109.267 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.21 -46.41 89.85 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.309 -0.87 . . . . 0.40000000000000002 108.785 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 36.3 ttmt -60.04 -39.99 87.83 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.478 -0.764 . . . . 1.5900000000000001 109.474 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.99 -39.93 83.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.299 -0.876 . . . . 1.4299999999999999 108.933 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -34.24 77.16 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.244 -0.91 . . . . 0.65000000000000002 108.94 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -73.96 -24.92 59.69 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.268 -0.895 . . . . 1.1899999999999999 109.313 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.03 -9.37 45.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 1.22 109.334 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.27 6.52 56.77 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.277 -1.529 . . . . 1.53 109.277 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -83.63 129.67 34.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.377 -1.072 . . . . 4.21 109.4 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -59.71 149.82 70.05 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.394 -0.816 . . . . 5.6799999999999997 109.23 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -57.47 143.54 94.1 Favored 'Trans proline' 0 C--N 1.324 -0.744 0 C-N-CA 120.93 1.086 . . . . 5.5700000000000003 109.711 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.973 -1.459 . . . . 7.2000000000000002 109.549 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.405 -0.591 . . . . 8.9600000000000009 109.405 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 48.38 -117.57 0.92 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.216 -0.927 . . . . 8.1500000000000004 109.719 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 49.2 tttp 48.82 65.58 6.9 Favored Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.155 -0.966 . . . . 7.1500000000000004 109.412 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -60.54 168.13 7.16 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 121.424 1.416 . . . . 4.3499999999999996 109.829 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.499 HD12 ' N ' ' C' ' 5' ' ' LEU . 9.6 mp -77.12 136.5 38.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.195 -0.941 . . . . 4.6299999999999999 108.953 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.61 121.96 26.48 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.345 -0.847 . . . . 2.8500000000000001 110.105 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . 0.457 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -72.18 149.27 43.88 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.261 -1.536 . . . . 1.1200000000000001 109.261 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.94 133.87 56.53 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.073 -1.251 . . . . 2.1099999999999999 109.396 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . 0.457 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 97.8 m-85 -110.07 144.77 38.17 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.359 -0.838 . . . . 0.64000000000000001 109.397 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -135.18 138.53 43.75 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.385 -0.822 . . . . 0.48999999999999999 109.321 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -88.1 156.77 19.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.354 -0.841 . . . . 0.46999999999999997 109.041 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -146.23 128.02 15.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.255 -0.903 . . . . 0.41999999999999998 109.15 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -85.63 128.69 34.84 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.574 -0.899 . . . . 1.8100000000000001 108.574 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -119.94 120.07 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.396 -0.815 . . . . 0.41999999999999998 109.613 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -77.16 138.07 39.26 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.611 -0.681 . . . . 2.3500000000000001 109.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.81 125.26 2.48 Favored Glycine 0 N--CA 1.496 2.679 0 N-CA-C 110.059 -1.217 . . . . 0.40999999999999998 110.059 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' C' ' 17' ' ' ARG . 14.9 ttt-85 -67.2 -42.11 84.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -1.145 . . . . 2.5899999999999999 109.657 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.11 -41.35 92.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.154 -0.966 . . . . 2.54 108.629 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.5 -39.97 89.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.991 -0.744 . . . . 3.3900000000000001 108.991 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -60.0 -48.71 80.58 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.493 -0.754 . . . . 0.46999999999999997 109.529 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.57 -39.43 80.3 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.331 -0.856 . . . . 1.6599999999999999 109.188 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 64.8 ttp -59.97 -52.01 67.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.333 -0.854 . . . . 0.60999999999999999 110.168 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -66.89 -39.53 87.5 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.104 -0.998 . . . . 0.33000000000000002 109.637 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -55.33 -41.88 73.06 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.205 -0.935 . . . . 3.2799999999999998 108.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . 0.41 ' OE2' ' NZ ' ' D' ' 33' ' ' LYS . 54.2 tp10 -59.99 -49.31 78.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.28 -1.007 . . . . 1.78 108.28 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.57 -44.74 93.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.43 -0.794 . . . . 0.38 109.622 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.03 -49.34 78.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.272 -0.893 . . . . 1.2 109.313 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.392 -0.818 . . . . 2.1200000000000001 109.211 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.58 -46.67 88.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.289 -0.882 . . . . 0.26000000000000001 109.195 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.64 -41.49 97.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.158 -0.963 . . . . 0.40000000000000002 109.197 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -60.16 -42.01 94.03 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 2.0899999999999999 109.431 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.56 -46.37 90.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.231 -0.918 . . . . 0.75 108.66 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -60.11 -39.96 87.99 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.516 -0.74 . . . . 2.1899999999999999 109.43 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -59.16 -40.07 84.43 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.263 -0.898 . . . . 1.3400000000000001 108.926 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.66 77.48 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.238 -0.914 . . . . 0.71999999999999997 109.001 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -73.99 -23.93 59.53 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 1.8 109.328 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.84 -8.99 48.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.111 -0.993 . . . . 1.3899999999999999 109.375 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.81 6.82 57.64 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.247 -1.541 . . . . 1.6599999999999999 109.247 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -83.65 129.38 34.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.294 -1.121 . . . . 4.4500000000000002 109.521 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -59.5 149.76 68.65 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.357 -0.839 . . . . 6.1900000000000004 109.206 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.73 142.99 96.18 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 120.987 1.125 . . . . 5.5800000000000001 109.659 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 117.996 -1.447 . . . . 6.9000000000000004 109.619 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.291 -0.633 . . . . 7.3600000000000003 109.291 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 47.54 -117.34 0.82 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.153 -0.967 . . . . 7.1500000000000004 109.757 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 49.0 tttp 48.97 65.62 6.85 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 6.5 109.369 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.66 168.32 7.05 Favored 'Trans proline' 0 C--N 1.317 -1.102 0 C-N-CA 121.368 1.379 . . . . 4.5 109.761 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . 0.48 HD12 ' N ' ' D' ' 5' ' ' LEU . 9.7 mp -77.3 136.54 38.49 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.202 -0.936 . . . . 4.3200000000000003 108.904 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.67 122.64 27.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.362 -0.836 . . . . 2.46 110.015 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . 0.434 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -72.53 149.36 43.44 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.216 -1.554 . . . . 0.96999999999999997 109.216 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.87 134.07 56.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.106 -1.232 . . . . 1.6699999999999999 109.535 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.434 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 98.0 m-85 -110.0 145.13 37.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.465 -0.772 . . . . 0.60999999999999999 109.464 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.36 138.48 43.4 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.372 -0.83 . . . . 0.56000000000000005 109.355 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -88.37 156.92 18.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.363 -0.835 . . . . 0.42999999999999999 109.101 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -146.34 127.92 15.12 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.2 -0.937 . . . . 0.34999999999999998 109.15 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -85.6 128.71 34.84 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.523 -0.917 . . . . 1.3700000000000001 108.523 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.03 119.97 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 121.335 -0.853 . . . . 0.47999999999999998 109.598 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -77.0 138.12 39.41 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 2.0800000000000001 110.01 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.65 124.79 2.34 Favored Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.106 -1.198 . . . . 0.40000000000000002 110.106 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' D' ' 17' ' ' ARG . 13.6 ttt-85 -66.68 -42.32 86.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.244 -1.151 . . . . 2.6400000000000001 109.703 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.99 -41.45 92.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.013 -1.054 . . . . 2.2200000000000002 108.596 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -60.42 -40.05 89.62 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.413 -0.804 . . . . 2.7400000000000002 109.119 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -60.0 -49.38 77.88 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.334 -0.854 . . . . 0.42999999999999999 109.384 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.1 -39.24 78.11 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.276 -0.89 . . . . 1.6899999999999999 109.203 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 64.1 ttp -60.04 -51.54 69.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.32 -0.862 . . . . 0.42999999999999999 110.154 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -67.15 -40.09 86.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.093 -1.004 . . . . 0.27000000000000002 109.689 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -54.81 -41.91 71.22 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.209 -0.932 . . . . 2.4500000000000002 108.52 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 54.3 tp10 -59.96 -49.63 76.93 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 108.245 -1.021 . . . . 1.75 108.245 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.51 -44.47 94.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.353 -0.842 . . . . 0.31 109.537 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.03 -48.95 79.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 1.22 109.435 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.43 -40.09 89.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.493 -0.754 . . . . 1.73 109.313 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.58 -46.74 88.05 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 0.28000000000000003 109.195 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.67 -41.33 97.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 0.31 109.231 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -59.98 -42.06 93.35 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 1.9099999999999999 109.335 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.63 -46.43 90.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.42999999999999999 108.582 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.41 ' NZ ' ' OE2' ' C' ' 25' ' ' GLU . 36.3 ttmt -60.04 -39.85 87.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.592 -0.693 . . . . 1.5700000000000001 109.443 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.3 -39.92 84.56 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 1.4399999999999999 108.974 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.92 76.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.169 -0.957 . . . . 0.64000000000000001 108.899 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.91 -24.37 59.68 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 1.21 109.281 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.72 -9.38 50.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.193 -0.942 . . . . 1.22 109.466 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.3 6.81 56.09 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.279 -1.528 . . . . 1.5 109.279 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -83.71 129.72 34.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.315 -1.109 . . . . 4.1799999999999997 109.48 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -60.0 149.4 74.15 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.388 -0.82 . . . . 5.6699999999999999 109.382 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -57.33 143.33 94.15 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 120.975 1.117 . . . . 5.6500000000000004 109.72 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.45 -1.46 . . . . 7.2699999999999996 109.45 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 3' ' ' LYS . 58.6 mttp . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.274 -0.639 . . . . 7.3300000000000001 109.274 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 64.49 -47.81 0.31 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.878 -0.514 . . . . 7.21 110.252 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 1' ' ' LYS . 82.4 mttt 48.61 67.68 4.27 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 120.859 -1.151 . . . . 6.4699999999999998 109.945 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -63.1 138.69 68.73 Favored 'Trans proline' 0 C--N 1.316 -1.149 0 C-N-CA 121.322 1.348 . . . . 4.5300000000000002 109.779 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -78.92 143.52 35.75 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.26 -0.9 . . . . 4.3499999999999996 109.666 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -81.76 -7.21 59.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 2.48 109.713 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.42 122.38 17.77 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.555 -1.418 . . . . 0.97999999999999998 109.555 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.74 139.9 58.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.449 -1.03 . . . . 1.7 109.889 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.59 145.84 24.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.346 -0.847 . . . . 0.60999999999999999 108.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -133.98 141.73 47.39 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.22 -0.925 . . . . 0.57999999999999996 109.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.7 p -89.23 156.42 18.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.296 -0.877 . . . . 0.41999999999999998 108.776 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -147.09 130.91 17.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.082 -1.011 . . . . 0.35999999999999999 109.22 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -83.74 127.89 34.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.327 -0.858 . . . . 1.3700000000000001 109.606 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.97 119.94 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 121.521 -0.737 . . . . 0.46999999999999997 109.473 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.8 145.98 38.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.376 -0.827 . . . . 2.1000000000000001 110.435 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 125.52 0.63 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.427 -1.069 . . . . 0.41999999999999998 110.427 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.46 -40.01 89.16 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.379 -1.071 . . . . 2.6800000000000002 109.116 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -60.0 -40.96 91.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.09 -1.007 . . . . 2.2200000000000002 109.048 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.87 -39.96 93.71 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.639 -0.874 . . . . 2.77 108.639 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.06 -45.61 92.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.213 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -41.8 92.82 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.258 -0.901 . . . . 1.6599999999999999 108.615 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 ttp -62.09 -49.94 73.93 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.38 -0.825 . . . . 0.44 109.08 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.5 -39.97 92.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.433 -0.792 . . . . 0.28999999999999998 109.075 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -54.52 -47.41 73.14 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.266 -0.896 . . . . 2.4399999999999999 108.797 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.04 -46.72 88.58 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.319 -0.863 . . . . 1.74 108.883 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.68 -45.55 92.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.267 -0.896 . . . . 0.29999999999999999 109.121 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -60.04 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.811 . . . . 1.22 109.642 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.75 -39.95 95.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.369 -0.832 . . . . 1.72 109.534 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.82 -49.96 75.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 0.27000000000000002 109.669 -179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.28 -41.69 98.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.112 -0.993 . . . . 0.28999999999999998 109.613 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.15 -40.83 95.34 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.07 -1.019 . . . . 1.9099999999999999 109.045 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.26 -46.52 89.53 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.324 -0.86 . . . . 0.40999999999999998 108.856 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -59.98 -40.04 87.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.417 -0.802 . . . . 1.5600000000000001 109.386 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.97 -39.91 87.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 1.4299999999999999 109.342 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.3 -33.66 76.34 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.151 -0.968 . . . . 0.66000000000000003 109.32 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -72.94 -28.6 62.53 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 1.1799999999999999 109.442 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -66.99 -20.25 65.85 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.135 -0.978 . . . . 1.23 109.449 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.93 32.03 0.91 Allowed Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.354 -1.499 . . . . 1.54 109.354 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 37' ' ' ALA . 88.4 tttt -83.71 131.44 34.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.373 -1.075 . . . . 4.1799999999999997 109.655 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.36 149.74 57.85 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.349 -0.844 . . . . 5.71 108.957 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.19 153.14 28.02 Favored 'Trans proline' 0 C--N 1.324 -0.753 0 C-N-CA 120.862 1.041 . . . . 5.6100000000000003 109.736 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.384 -1.486 . . . . 7.2400000000000002 109.384 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' B' ' 3' ' ' LYS . 59.1 mttp . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.785 -0.45 . . . . 7.3399999999999999 109.785 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 64.26 -49.12 0.29 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.849 -0.532 . . . . 7.1699999999999999 110.108 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' B' ' 1' ' ' LYS . 81.8 mttt 49.33 67.57 4.35 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.954 -1.091 . . . . 6.4400000000000004 109.868 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.59 139.17 74.29 Favored 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.457 1.438 . . . . 4.54 109.757 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -78.8 144.19 35.34 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.178 -0.951 . . . . 4.3200000000000003 109.61 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -82.11 -9.27 59.59 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.245 -0.909 . . . . 2.4700000000000002 109.54 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.93 122.89 25.3 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.55 -1.42 . . . . 0.94999999999999996 109.55 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.79 139.99 58.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -1.073 . . . . 1.6100000000000001 109.962 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -95.35 145.58 25.01 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.287 -0.883 . . . . 0.56999999999999995 109.169 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -133.91 141.14 47.22 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.38 -0.825 . . . . 0.53000000000000003 109.88 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -88.77 156.11 19.17 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.367 -0.833 . . . . 0.38 108.833 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 60.4 tp -146.61 131.5 18.1 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.995 -1.065 . . . . 0.35999999999999999 109.363 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -84.31 128.01 34.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.344 -0.847 . . . . 1.3600000000000001 109.438 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.0 mt -120.03 121.05 64.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.526 -0.734 . . . . 0.48999999999999999 109.345 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -77.88 145.77 36.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.411 -0.806 . . . . 2.1000000000000001 110.58 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 125.86 0.68 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.38 -1.088 . . . . 0.44 110.38 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.57 -39.93 88.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -1.056 . . . . 2.7200000000000002 109.201 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.01 -40.87 90.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.159 -0.963 . . . . 2.21 109.079 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 44.0 ttm180 -61.98 -40.07 94.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.612 -0.885 . . . . 2.79 108.612 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.332 -0.855 . . . . 0.45000000000000001 109.312 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.86 -41.43 91.47 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.192 -0.943 . . . . 1.6799999999999999 108.662 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.9 ttp -62.4 -49.95 73.46 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.401 -0.812 . . . . 0.42999999999999999 108.901 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.46 -40.01 92.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.455 -0.778 . . . . 0.28000000000000003 109.146 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.46 -47.31 73.08 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.261 -0.899 . . . . 2.52 108.865 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -46.9 87.98 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.349 -0.844 . . . . 1.75 108.936 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.59 -45.66 91.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.292 -0.88 . . . . 0.31 109.051 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -59.97 -50.07 75.2 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.433 -0.792 . . . . 1.21 109.533 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -62.7 -40.0 95.78 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.404 -0.81 . . . . 1.6899999999999999 109.612 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.81 -49.83 76.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.297 -0.877 . . . . 0.27000000000000002 109.658 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.2 mt -62.05 -42.31 99.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.098 -1.001 . . . . 0.29999999999999999 109.57 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.56 -40.59 92.18 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.083 -1.011 . . . . 1.9299999999999999 109.146 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.44 -46.62 89.38 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 0.40000000000000002 108.705 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -59.94 -40.02 87.53 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.418 -0.801 . . . . 1.5900000000000001 109.475 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.94 -40.09 87.74 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.872 . . . . 1.4299999999999999 109.489 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.21 77.56 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.286 -0.884 . . . . 0.65000000000000002 109.227 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -72.31 -29.03 63.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.263 -0.898 . . . . 1.1899999999999999 109.539 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.493 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -67.16 -20.14 65.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.181 -0.949 . . . . 1.22 109.498 -179.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.9 31.81 0.9 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.342 -1.503 . . . . 1.53 109.342 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' B' ' 37' ' ' ALA . 88.3 tttt -83.29 132.04 35.05 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.242 -1.152 . . . . 4.21 109.618 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -58.71 149.95 60.55 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 108.971 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.11 152.34 30.91 Favored 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 120.866 1.044 . . . . 5.5700000000000003 109.693 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.335 -1.506 . . . . 7.2000000000000002 109.335 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' C' ' 3' ' ' LYS . 59.0 mttp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.539 -0.541 . . . . 8.9600000000000009 109.539 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 82.7 tttt 63.81 -49.22 0.26 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.039 0.447 . . . . 8.1500000000000004 110.082 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' C' ' 1' ' ' LYS . 82.5 mttt 49.77 67.71 4.17 Favored Pre-proline 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 7.1500000000000004 109.866 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -62.69 138.99 72.74 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 C-N-CA 121.367 1.378 . . . . 4.3499999999999996 109.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -78.74 143.83 35.81 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.312 -0.867 . . . . 4.6299999999999999 109.616 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -81.82 -8.27 59.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.465 -0.772 . . . . 2.8500000000000001 109.612 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.48 122.9 21.77 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.565 -1.414 . . . . 1.1200000000000001 109.565 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.52 140.03 58.61 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.309 -1.112 . . . . 2.1099999999999999 109.883 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.82 145.67 25.17 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.395 -0.815 . . . . 0.64000000000000001 109.052 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -133.62 141.48 47.66 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.258 -0.901 . . . . 0.48999999999999999 110.034 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.2 p -88.71 155.5 19.55 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.776 -0.824 . . . . 0.46999999999999997 108.776 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -146.45 131.77 18.54 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 0.41999999999999998 109.252 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -84.61 127.98 34.35 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.325 -0.859 . . . . 1.8100000000000001 109.57 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.04 120.06 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 121.443 -0.785 . . . . 0.41999999999999998 109.551 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.99 146.17 37.62 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.347 -0.846 . . . . 2.3500000000000001 110.381 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.92 125.25 0.65 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.424 -1.07 . . . . 0.40999999999999998 110.424 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -66.33 -39.94 89.58 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.394 -1.062 . . . . 2.5899999999999999 109.144 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.02 -40.62 89.92 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.132 -0.98 . . . . 2.54 109.203 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -62.17 -40.02 94.59 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.174 -0.954 . . . . 3.3900000000000001 108.574 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -60.11 -45.56 92.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.371 -0.831 . . . . 0.46999999999999997 109.167 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.22 -0.925 . . . . 1.6599999999999999 108.668 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 31.3 ttp -62.06 -50.07 73.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.293 -0.879 . . . . 0.60999999999999999 109.015 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -61.3 -40.08 92.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.41 -0.807 . . . . 0.33000000000000002 109.116 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -54.4 -47.17 73.04 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.18 -0.95 . . . . 3.2799999999999998 108.887 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -46.95 87.86 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.373 -0.83 . . . . 1.78 108.913 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.69 -45.44 92.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.38 109.017 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.08 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.422 -0.799 . . . . 1.2 109.466 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.64 -39.94 95.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.398 -0.814 . . . . 2.1200000000000001 109.674 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.97 -50.03 75.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.204 -0.935 . . . . 0.26000000000000001 109.666 -179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -41.84 98.45 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.192 -0.942 . . . . 0.40000000000000002 109.628 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -61.25 -40.38 93.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.148 -0.97 . . . . 2.0899999999999999 109.031 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.39 -46.86 88.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 0.75 108.759 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -59.96 -39.94 87.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.455 -0.778 . . . . 2.1899999999999999 109.417 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.29 -0.881 . . . . 1.3400000000000001 109.374 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.47 -33.57 76.19 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.323 -0.861 . . . . 0.71999999999999997 109.133 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.2 -27.69 61.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.363 -0.836 . . . . 1.8 109.489 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.484 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -67.83 -20.43 65.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 1.3899999999999999 109.368 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.52 31.68 0.85 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.375 -1.49 . . . . 1.6599999999999999 109.375 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' C' ' 37' ' ' ALA . 88.3 tttt -83.17 131.61 35.12 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -1.145 . . . . 4.4500000000000002 109.764 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -58.44 149.58 59.59 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.316 -0.865 . . . . 6.1900000000000004 108.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -55.22 151.43 35.7 Favored 'Trans proline' 0 C--N 1.324 -0.762 0 C-N-CA 120.937 1.091 . . . . 5.5800000000000001 109.758 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 CA-C-O 118.028 -1.429 . . . . 6.9000000000000004 109.648 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' D' ' 3' ' ' LYS . 59.0 mttp . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.694 -0.484 . . . . 7.3600000000000003 109.694 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 64.58 -48.74 0.32 Allowed 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.808 -0.558 . . . . 7.1500000000000004 110.184 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' D' ' 1' ' ' LYS . 82.3 mttt 48.94 68.02 3.94 Favored Pre-proline 0 N--CA 1.489 1.479 0 O-C-N 121.106 -0.996 . . . . 6.5 109.844 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -62.85 138.96 71.67 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 C-N-CA 121.55 1.5 . . . . 4.5 109.821 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.8 143.3 36.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.248 -0.907 . . . . 4.3200000000000003 109.753 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -81.43 -8.04 59.67 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.389 -0.819 . . . . 2.46 109.662 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.67 122.65 20.6 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.529 -1.429 . . . . 0.96999999999999997 109.529 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.28 140.04 58.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.407 -1.055 . . . . 1.6699999999999999 109.899 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -95.49 145.53 25.11 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.415 -0.803 . . . . 0.60999999999999999 109.047 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.65 141.34 47.57 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.296 -0.877 . . . . 0.56000000000000005 109.935 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.64 156.32 19.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.303 -0.873 . . . . 0.42999999999999999 108.76 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 tp -147.05 131.21 17.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.972 -1.08 . . . . 0.34999999999999998 109.253 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -84.13 127.72 34.1 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.209 -0.932 . . . . 1.3700000000000001 109.648 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.99 119.99 61.8 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.506 -0.746 . . . . 0.47999999999999998 109.346 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.84 145.99 38.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.322 -0.861 . . . . 2.0800000000000001 110.402 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.84 124.81 0.62 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.509 -1.036 . . . . 0.40000000000000002 110.509 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -66.0 -40.01 90.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -1.081 . . . . 2.6400000000000001 109.133 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.04 -40.58 89.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.177 -0.952 . . . . 2.2200000000000002 109.15 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -62.21 -39.98 94.58 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.195 -0.94 . . . . 2.7400000000000002 108.534 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -60.11 -45.41 93.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.366 -0.834 . . . . 0.42999999999999999 109.291 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -42.02 93.37 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.155 -0.966 . . . . 1.6899999999999999 108.571 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 29.8 ttp -62.09 -49.96 73.86 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.448 -0.782 . . . . 0.42999999999999999 109.042 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.32 -39.93 92.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.371 -0.831 . . . . 0.27000000000000002 109.242 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -54.56 -47.23 73.5 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 2.4500000000000002 108.899 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.87 -47.2 86.72 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.35 -0.844 . . . . 1.75 108.96 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.73 -45.36 93.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.23 -0.919 . . . . 0.31 108.979 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.98 -49.99 75.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.386 -0.821 . . . . 1.22 109.464 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -62.86 -40.03 96.24 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.469 -0.769 . . . . 1.73 109.684 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.89 -49.76 76.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.263 -0.898 . . . . 0.28000000000000003 109.757 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.23 -41.76 98.7 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.143 -0.973 . . . . 0.31 109.63 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.7 -41.24 94.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.176 -0.953 . . . . 1.9099999999999999 109.094 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.05 -46.4 89.68 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 108.744 -0.835 . . . . 0.42999999999999999 108.744 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -60.04 -39.97 87.74 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.386 -0.821 . . . . 1.5700000000000001 109.328 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.3 m-20 -59.96 -40.03 87.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.293 -0.879 . . . . 1.4399999999999999 109.584 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.31 -33.32 75.56 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.242 -0.912 . . . . 0.64000000000000001 109.321 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -73.19 -28.51 62.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.282 -0.886 . . . . 1.21 109.422 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.482 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -67.35 -20.51 65.59 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.155 -0.966 . . . . 1.22 109.417 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.64 31.92 0.86 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.452 -1.459 . . . . 1.5 109.452 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' D' ' 37' ' ' ALA . 88.3 tttt -83.46 132.76 34.94 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -1.14 . . . . 4.1799999999999997 109.669 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -59.93 149.29 74.01 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 5.6699999999999999 108.97 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -54.36 152.7 24.95 Favored 'Trans proline' 0 C--N 1.323 -0.784 0 C-N-CA 120.822 1.015 . . . . 5.6500000000000004 109.748 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 CA-C-O 117.987 -1.452 . . . . 7.2699999999999996 109.506 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.609 ' O ' ' N ' ' A' ' 3' ' ' LYS . 79.2 tttt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.355 -0.609 . . . . 7.3300000000000001 109.355 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' LYS . 45.6 tttp 31.4 -82.8 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.424 0 CA-C-O 121.061 0.458 . . . . 7.21 111.217 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 1' ' ' LYS . 58.3 tttm 52.8 70.82 1.66 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.033 -1.042 . . . . 6.4699999999999998 109.305 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -63.51 139.07 68.51 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 C-N-CA 121.635 1.557 . . . . 4.5300000000000002 109.883 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.1 64.58 5.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 4.3499999999999996 109.426 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -79.37 -141.24 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.718 -0.845 . . . . 2.48 108.718 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 148.62 50.7 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 108.905 -1.678 . . . . 0.97999999999999998 108.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 40.9 mp0 -60.84 139.98 57.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.208 -1.172 . . . . 1.7 109.345 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -94.15 142.98 26.78 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 109.594 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.08 139.57 43.1 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.448 -0.783 . . . . 0.57999999999999996 109.586 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.7 p -89.71 152.73 21.19 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.244 -0.91 . . . . 0.41999999999999998 108.799 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.5 tp -147.64 130.18 15.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.987 -1.071 . . . . 0.35999999999999999 109.541 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.6 129.27 34.96 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.282 -0.886 . . . . 1.3700000000000001 108.732 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.86 120.02 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 121.382 -0.824 . . . . 0.46999999999999997 110.007 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -78.22 141.85 38.31 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.351 -0.843 . . . . 2.1000000000000001 110.388 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.27 126.16 2.17 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 110.53 -1.028 . . . . 0.41999999999999998 110.53 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -66.97 -39.97 87.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.449 -1.03 . . . . 2.6800000000000002 109.429 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.67 91.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.44 -0.948 . . . . 2.2200000000000002 108.44 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.3 -42.37 95.36 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.429 -0.794 . . . . 2.77 108.911 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -59.97 -49.87 75.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.983 . . . . 0.42999999999999999 109.105 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.02 -41.63 92.62 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.171 -0.955 . . . . 1.6599999999999999 108.596 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 62.9 ttp -63.32 -50.0 71.73 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.441 -0.787 . . . . 0.44 109.432 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.73 -41.82 99.36 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.427 -0.796 . . . . 0.28999999999999998 109.21 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.78 -43.72 90.5 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.318 -0.864 . . . . 2.4399999999999999 109.094 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.96 -47.55 85.36 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.297 -0.877 . . . . 1.74 109.446 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.16 -42.57 99.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.188 -0.945 . . . . 0.29999999999999999 109.614 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.15 -0.969 . . . . 1.22 109.141 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' HZ3' ' B' ' 33' ' ' LYS . 98.7 mt-10 -62.22 -40.05 94.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 1.72 109.702 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.0 -48.58 81.12 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -0.902 . . . . 0.27000000000000002 109.617 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -61.43 -43.37 98.99 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.036 -1.04 . . . . 0.28999999999999998 109.062 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.3 -42.06 94.72 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.193 -0.942 . . . . 1.9099999999999999 108.878 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.412 HD13 HE22 ' B' ' 36' ' ' GLN . 59.3 tp -60.04 -49.15 78.79 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.749 -0.834 . . . . 0.40999999999999998 108.749 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.96 -38.99 84.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.529 -0.732 . . . . 1.5600000000000001 109.286 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.83 -39.98 82.83 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.328 -0.858 . . . . 1.4299999999999999 109.204 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.01 96.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.163 -0.96 . . . . 0.66000000000000003 108.486 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.5 -37.52 68.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.43 -0.794 . . . . 1.1799999999999999 108.905 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -69.3 -6.46 29.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.503 -0.748 . . . . 1.23 109.952 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.74 6.28 5.07 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.249 -1.54 . . . . 1.54 109.249 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 37' ' ' ALA . 28.2 tptp -85.52 141.23 30.03 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.333 -1.098 . . . . 4.1799999999999997 109.299 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.0 149.4 55.79 Favored Pre-proline 0 N--CA 1.488 1.465 0 O-C-N 121.252 -0.905 . . . . 5.71 108.931 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -54.93 157.26 13.46 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 C-N-CA 121.003 1.135 . . . . 5.6100000000000003 109.709 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.332 -1.507 . . . . 7.2400000000000002 109.332 179.837 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' B' ' 3' ' ' LYS . 79.3 tttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.346 -0.613 . . . . 7.3399999999999999 109.346 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' B' ' 1' ' ' LYS . 45.5 tttp 31.62 -82.47 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 CA-C-O 121.128 0.49 . . . . 7.1699999999999999 111.274 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.611 ' N ' ' O ' ' B' ' 1' ' ' LYS . 58.0 tttm 52.51 71.22 1.52 Allowed Pre-proline 0 N--CA 1.489 1.491 0 O-C-N 121.066 -1.021 . . . . 6.4400000000000004 109.426 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.92 138.66 64.04 Favored 'Trans proline' 0 C--N 1.318 -1.046 0 C-N-CA 121.626 1.55 . . . . 4.54 110.022 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 84.0 mt -80.93 65.33 6.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.333 -0.855 . . . . 4.3200000000000003 109.333 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -80.62 -143.64 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.275 -1.009 . . . . 2.4700000000000002 108.275 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 148.01 50.84 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.296 -1.522 . . . . 0.94999999999999996 109.296 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 39.8 mp0 -60.31 140.01 57.33 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.227 -1.16 . . . . 1.6100000000000001 109.49 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.96 144.04 25.81 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.325 -0.859 . . . . 0.56999999999999995 109.575 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -137.35 139.26 40.7 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.355 -0.841 . . . . 0.53000000000000003 109.561 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.0 p -89.32 152.97 21.24 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.309 -0.869 . . . . 0.38 108.964 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.5 tp -147.8 130.62 16.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.119 -0.988 . . . . 0.35999999999999999 109.374 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.96 129.37 34.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.327 -0.858 . . . . 1.3600000000000001 108.781 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.81 120.01 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.452 -0.78 . . . . 0.48999999999999999 110.015 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.45 142.63 37.37 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.397 -0.815 . . . . 2.1000000000000001 110.206 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.57 125.4 1.84 Allowed Glycine 0 N--CA 1.496 2.67 0 N-CA-C 110.629 -0.988 . . . . 0.44 110.629 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -66.43 -39.9 89.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -1.077 . . . . 2.7200000000000002 109.379 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.09 -45.23 93.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.133 -0.979 . . . . 2.21 108.502 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -60.66 -42.39 96.93 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.809 -0.811 . . . . 2.79 108.809 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.01 -49.72 76.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.211 -0.93 . . . . 0.45000000000000001 109.228 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.93 -41.62 92.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.095 -1.003 . . . . 1.6799999999999999 108.481 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 63.0 ttp -63.42 -50.01 71.47 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.33 -0.856 . . . . 0.42999999999999999 109.5 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.98 -40.94 99.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.28000000000000003 109.128 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -59.3 -44.07 92.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.316 -0.865 . . . . 2.52 109.001 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.98 -47.3 86.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.326 -0.859 . . . . 1.75 109.573 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.21 -42.46 99.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.105 -0.997 . . . . 0.31 109.522 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 1.21 109.217 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.39 -39.97 94.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.49 -0.756 . . . . 1.6899999999999999 109.545 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -60.04 -49.09 79.03 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.912 . . . . 0.27000000000000002 109.606 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.0 -43.68 98.53 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.042 -1.036 . . . . 0.29999999999999999 108.955 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.94 -42.07 93.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.217 -0.927 . . . . 1.9299999999999999 108.877 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 -49.14 78.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.399 -0.813 . . . . 0.40000000000000002 108.861 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.408 ' HZ3' ' HB2' ' A' ' 28' ' ' GLU . 36.4 ttmt -60.01 -38.92 84.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.765 . . . . 1.5900000000000001 109.252 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.404 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.6 m-20 -58.62 -40.01 82.11 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.319 -0.863 . . . . 1.4299999999999999 109.329 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.99 96.07 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.083 -1.011 . . . . 0.65000000000000002 108.647 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.412 HE22 HD13 ' A' ' 32' ' ' LEU . 7.2 tt0 -72.37 -37.82 68.68 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.374 -0.829 . . . . 1.1899999999999999 108.793 179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -68.94 -6.44 27.56 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.465 -0.772 . . . . 1.22 109.874 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.24 5.03 5.49 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.21 -1.556 . . . . 1.53 109.21 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' B' ' 37' ' ' ALA . 28.1 tptp -84.53 141.26 30.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.352 -1.087 . . . . 4.21 109.467 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.0 149.61 54.75 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.331 -0.856 . . . . 5.6799999999999997 108.878 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.22 156.54 16.37 Favored 'Trans proline' 0 C--N 1.323 -0.805 0 C-N-CA 120.968 1.112 . . . . 5.5700000000000003 109.933 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.5 -1.44 . . . . 7.2000000000000002 109.5 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' C' ' 3' ' ' LYS . 79.6 tttt . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.226 -0.657 . . . . 8.9600000000000009 109.226 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' C' ' 1' ' ' LYS . 45.7 tttp 31.38 -83.86 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.521 0 CA-C-O 120.99 0.424 . . . . 8.1500000000000004 111.016 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' C' ' 1' ' ' LYS . 58.0 tttm 54.08 70.7 1.6 Allowed Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.084 -1.01 . . . . 7.1500000000000004 109.244 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.74 138.43 63.84 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.623 1.549 . . . . 4.3499999999999996 109.917 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.59 65.51 5.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.281 -0.887 . . . . 4.6299999999999999 109.344 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -80.65 -141.34 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.222 -0.924 . . . . 2.8500000000000001 108.584 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.48 147.62 49.99 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.977 -1.649 . . . . 1.1200000000000001 108.977 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 39.9 mp0 -60.0 139.98 57.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.154 -1.204 . . . . 2.1099999999999999 109.611 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.01 143.35 26.43 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.444 -0.785 . . . . 0.64000000000000001 109.632 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -137.08 139.42 41.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.499 -0.751 . . . . 0.48999999999999999 109.471 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 75.2 p -89.19 153.16 21.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.35 -0.844 . . . . 0.46999999999999997 109.041 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.3 tp -148.15 130.03 15.24 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.02 -1.05 . . . . 0.41999999999999998 109.417 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.45 129.28 34.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.323 -0.86 . . . . 1.8100000000000001 108.785 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.76 120.04 61.31 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.516 -0.74 . . . . 0.41999999999999998 110.12 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.18 37.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.401 -0.812 . . . . 2.3500000000000001 110.274 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.1 126.18 2.12 Favored Glycine 0 N--CA 1.496 2.645 0 N-CA-C 110.562 -1.015 . . . . 0.40999999999999998 110.562 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -66.83 -40.08 87.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 2.5899999999999999 109.278 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.0 -45.74 91.76 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.6 -0.889 . . . . 2.54 108.6 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.06 -42.48 94.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.823 -0.806 . . . . 3.3900000000000001 108.823 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.01 -49.94 75.68 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.251 -0.906 . . . . 0.46999999999999997 109.132 179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -42.03 93.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.128 -0.982 . . . . 1.6599999999999999 108.368 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.6 ttp -62.72 -50.09 72.47 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.478 -0.764 . . . . 0.60999999999999999 109.574 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.03 -40.81 98.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.33000000000000002 109.238 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -59.32 -44.03 92.63 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.301 -0.874 . . . . 3.2799999999999998 109.033 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.11 -47.35 86.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.407 -0.808 . . . . 1.78 109.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.33 -42.13 99.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.121 -0.987 . . . . 0.38 109.508 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -60.02 -49.98 75.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 1.2 109.103 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.36 -40.05 95.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.469 -0.77 . . . . 2.1200000000000001 109.669 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.93 -49.84 76.12 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.278 -0.889 . . . . 0.26000000000000001 109.423 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 88.1 mt -60.28 -43.72 95.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.146 -0.971 . . . . 0.40000000000000002 109.104 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -41.62 92.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.136 -0.977 . . . . 2.0899999999999999 108.858 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.21 -49.3 78.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.398 -0.814 . . . . 0.75 108.915 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.416 ' HZ2' ' HG3' ' D' ' 25' ' ' GLU . 36.5 ttmt -59.94 -38.9 83.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.531 -0.731 . . . . 2.1899999999999999 109.274 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -58.8 -39.96 82.65 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.347 -0.846 . . . . 1.3400000000000001 109.114 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.14 96.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.105 -0.997 . . . . 0.71999999999999997 108.573 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.436 HE22 HD13 ' D' ' 32' ' ' LEU . 7.1 tt0 -72.64 -37.54 67.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.4 -0.812 . . . . 1.8 108.851 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -68.86 -7.06 31.08 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.442 -0.786 . . . . 1.3899999999999999 109.786 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.94 5.01 5.03 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.353 -1.499 . . . . 1.6599999999999999 109.353 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 37' ' ' ALA . 28.2 tptp -84.55 140.85 31.13 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.299 -1.118 . . . . 4.4500000000000002 109.476 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -57.68 149.75 50.49 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.166 -0.959 . . . . 6.1900000000000004 108.885 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -55.11 157.14 14.28 Favored 'Trans proline' 0 C--N 1.324 -0.749 0 C-N-CA 120.942 1.094 . . . . 5.5800000000000001 109.835 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 CA-C-O 117.956 -1.469 . . . . 6.9000000000000004 109.492 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.613 ' O ' ' N ' ' D' ' 3' ' ' LYS . 79.4 tttt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.678 -0.49 . . . . 7.3600000000000003 109.678 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' D' ' 1' ' ' LYS . 45.5 tttp 35.67 -83.08 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 CA-C-O 120.919 0.39 . . . . 7.1500000000000004 110.807 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.613 ' N ' ' O ' ' D' ' 1' ' ' LYS . 59.0 tttm 52.54 70.58 1.8 Allowed Pre-proline 0 N--CA 1.489 1.477 0 O-C-N 121.006 -1.059 . . . . 6.5 109.426 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -63.46 138.67 66.62 Favored 'Trans proline' 0 C--N 1.318 -1.027 0 C-N-CA 121.651 1.567 . . . . 4.5 109.91 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.0 65.28 6.08 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 4.3200000000000003 109.428 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -80.35 -141.98 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.627 -0.879 . . . . 2.46 108.627 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.84 148.0 50.73 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.136 -1.586 . . . . 0.96999999999999997 109.136 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 39.5 mp0 -60.39 140.02 57.39 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.181 -1.188 . . . . 1.6699999999999999 109.385 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -94.06 143.58 26.23 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.355 -0.841 . . . . 0.60999999999999999 109.475 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -137.01 139.87 41.71 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.399 -0.813 . . . . 0.56000000000000005 109.544 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.74 152.98 21.05 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.292 -0.88 . . . . 0.42999999999999999 109.017 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.09 130.65 15.85 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.021 -1.05 . . . . 0.34999999999999998 109.492 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.91 129.49 34.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.258 -0.901 . . . . 1.3700000000000001 108.676 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.98 119.99 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.404 -0.81 . . . . 0.47999999999999998 109.971 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -78.36 142.99 37.27 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.278 -0.889 . . . . 2.0800000000000001 110.162 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.24 125.67 1.79 Allowed Glycine 0 N--CA 1.497 2.748 0 N-CA-C 110.654 -0.978 . . . . 0.40000000000000002 110.654 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -66.52 -40.02 88.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.415 -1.05 . . . . 2.6400000000000001 109.426 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.98 -45.51 92.47 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.185 -0.947 . . . . 2.2200000000000002 108.475 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.404 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -60.43 -42.5 96.17 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.44 -0.787 . . . . 2.7400000000000002 108.928 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -59.97 -49.59 77.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.16 -0.963 . . . . 0.42999999999999999 109.119 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.88 -42.34 93.56 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.414 -0.958 . . . . 1.6899999999999999 108.414 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.448 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -62.67 -49.93 73.19 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.547 -0.721 . . . . 0.42999999999999999 109.652 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.23 -40.72 98.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.254 -0.904 . . . . 0.27000000000000002 109.125 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.48 -43.87 93.18 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.247 -0.908 . . . . 2.4500000000000002 109.066 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . 0.416 ' HG3' ' HZ2' ' C' ' 33' ' ' LYS . 87.2 tt0 -60.07 -47.35 86.26 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.399 -0.813 . . . . 1.75 109.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -42.29 99.31 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.138 -0.976 . . . . 0.31 109.684 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.0 -49.97 75.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.147 -0.971 . . . . 1.22 109.216 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.57 -39.97 95.36 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.506 -0.746 . . . . 1.73 109.647 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.58 -49.79 76.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.276 -0.89 . . . . 0.28000000000000003 109.333 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.28 -43.85 95.85 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.161 -0.962 . . . . 0.31 109.163 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.96 -41.96 93.06 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.183 -0.948 . . . . 1.9099999999999999 108.874 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.436 HD13 HE22 ' C' ' 36' ' ' GLN . 59.0 tp -60.08 -49.07 79.1 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.304 -0.873 . . . . 0.42999999999999999 108.82 179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.94 -39.11 84.42 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.459 -0.776 . . . . 1.5700000000000001 109.232 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.92 -40.0 83.25 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.391 -0.818 . . . . 1.4399999999999999 109.316 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -40.1 96.64 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.64000000000000001 108.357 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -72.44 -37.93 68.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.887 -0.783 . . . . 1.21 108.887 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -68.86 -7.09 31.3 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.368 -0.832 . . . . 1.22 109.716 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.27 4.04 5.22 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.37 -1.492 . . . . 1.5 109.37 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' D' ' 37' ' ' ALA . 28.1 tptp -83.66 142.95 30.4 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -1.137 . . . . 4.1799999999999997 109.359 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -60.06 149.03 76.11 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 5.6699999999999999 108.911 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -54.37 156.81 12.93 Favored 'Trans proline' 0 C--N 1.324 -0.715 0 C-N-CA 120.991 1.127 . . . . 5.6500000000000004 109.788 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 CA-C-O 118.011 -1.439 . . . . 7.2699999999999996 109.682 -179.875 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 56.9 tttp . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 108.969 -0.752 . . . . 7.3300000000000001 108.969 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 76.7 tttt 97.0 -5.08 0.06 Allowed 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 123.179 0.592 . . . . 7.21 109.872 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 5' ' ' LEU . 87.4 mttt 43.77 67.81 3.53 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.025 -1.047 . . . . 6.4699999999999998 110.41 178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.38 29.06 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 121.45 1.434 . . . . 4.5300000000000002 110.684 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 3' ' ' LYS . 74.8 mt -82.2 119.95 24.73 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.876 -1.14 . . . . 4.3499999999999996 108.917 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -79.82 152.03 29.96 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.18 -0.95 . . . . 2.48 109.674 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.68 146.48 45.33 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.488 -1.445 . . . . 0.97999999999999998 109.488 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.73 139.98 57.7 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.294 -1.121 . . . . 1.7 109.541 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -107.28 147.57 30.08 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.441 -0.787 . . . . 0.60999999999999999 109.047 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -134.7 137.31 43.43 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 109.696 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.9 p -89.72 154.12 20.18 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.601 -0.889 . . . . 0.41999999999999998 108.601 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.6 tp -148.12 132.99 18.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.925 -1.11 . . . . 0.35999999999999999 109.224 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.487 HE21 ' CB ' ' C' ' 9' ' ' TYR . 61.6 tt0 -84.23 128.8 34.8 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.272 -1.01 . . . . 1.3700000000000001 108.272 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.94 120.06 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.31 -0.869 . . . . 0.46999999999999997 109.468 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.09 148.52 36.04 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.492 -0.755 . . . . 2.1000000000000001 110.028 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.35 125.21 0.71 Allowed Glycine 0 N--CA 1.493 2.495 0 N-CA-C 110.65 -0.98 . . . . 0.41999999999999998 110.65 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.74 -41.19 88.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.299 -1.118 . . . . 2.6800000000000002 109.135 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.1 -42.06 93.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.122 -0.986 . . . . 2.2200000000000002 109.148 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.4 ttm180 -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.287 -0.883 . . . . 2.77 109.072 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.94 -49.5 77.44 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.437 -0.79 . . . . 0.42999999999999999 109.057 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.03 -40.89 90.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.255 -0.903 . . . . 1.6599999999999999 108.597 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.4 ttp -62.93 -49.26 75.47 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.423 -0.798 . . . . 0.44 108.993 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.51 -40.09 95.61 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.854 . . . . 0.28999999999999998 108.924 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.11 -44.6 91.98 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.293 -0.879 . . . . 2.4399999999999999 109.115 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.09 83.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.192 -0.943 . . . . 1.74 109.059 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.51 -44.64 96.7 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.15 -0.969 . . . . 0.29999999999999999 108.995 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.98 -49.97 75.57 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.261 -0.899 . . . . 1.22 109.254 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.11 -41.06 96.0 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.206 -0.934 . . . . 1.72 109.525 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.1 -49.93 75.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.272 -0.893 . . . . 0.27000000000000002 109.658 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.8 -41.69 98.07 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.359 -0.838 . . . . 0.28999999999999998 109.525 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.04 -40.86 90.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.129 -0.982 . . . . 1.9099999999999999 109.283 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.07 -48.85 79.99 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.266 -0.896 . . . . 0.40999999999999998 109.083 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.356 -0.84 . . . . 1.5600000000000001 109.422 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.56 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 99.2 m-20 -59.67 -39.17 83.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.438 -0.789 . . . . 1.4299999999999999 109.593 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.74 86.76 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.274 -0.891 . . . . 0.66000000000000003 108.889 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -80.0 -12.92 59.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.114 -0.991 . . . . 1.1799999999999999 109.523 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.87 -11.99 60.53 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.241 -0.912 . . . . 1.23 109.368 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.14 -3.26 89.57 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.618 -1.393 . . . . 1.54 109.618 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -84.69 138.78 32.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.166 -1.197 . . . . 4.1799999999999997 109.126 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.01 148.53 60.07 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.289 -0.882 . . . . 5.71 109.419 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -56.13 166.67 3.01 Favored 'Trans proline' 0 C--N 1.324 -0.724 0 C-N-CA 121.053 1.169 . . . . 5.6100000000000003 109.488 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 CA-C-O 117.936 -1.48 . . . . 7.2400000000000002 109.596 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' B' ' 2' ' ' LYS . 56.4 tttp . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 108.644 -0.873 . . . . 7.3399999999999999 108.644 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.55 ' CB ' ' O ' ' B' ' 1' ' ' LYS . 76.4 tttt 96.25 -5.28 0.07 Allowed 'General case' 0 N--CA 1.508 2.46 0 C-N-CA 123.041 0.536 . . . . 7.1699999999999999 109.935 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' B' ' 5' ' ' LEU . 89.0 mttt 43.65 67.85 3.47 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 120.958 -1.089 . . . . 6.4400000000000004 110.445 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.16 28.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.215 0 C-N-CA 121.459 1.439 . . . . 4.54 110.817 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.532 ' H ' ' C ' ' B' ' 3' ' ' LYS . 75.4 mt -81.95 119.83 24.46 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.792 -1.193 . . . . 4.3200000000000003 109.017 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -79.74 153.01 29.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 2.4700000000000002 109.604 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.49 146.51 44.02 Favored Glycine 0 N--CA 1.491 2.367 0 N-CA-C 109.413 -1.475 . . . . 0.94999999999999996 109.413 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.51 139.95 57.53 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -1.122 . . . . 1.6100000000000001 109.523 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.441 ' CB ' HE21 ' D' ' 13' ' ' GLN . 95.7 m-85 -107.61 147.12 31.06 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.602 -0.686 . . . . 0.56999999999999995 109.174 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -134.65 137.28 43.48 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.263 -0.898 . . . . 0.53000000000000003 109.967 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 78.7 p -89.66 153.58 20.62 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 108.641 -0.874 . . . . 0.38 108.641 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.0 tp -147.92 132.58 17.85 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.036 -1.04 . . . . 0.35999999999999999 109.515 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.408 HE21 ' CB ' ' D' ' 9' ' ' TYR . 63.0 tt0 -83.63 129.04 34.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.201 -0.937 . . . . 1.3600000000000001 108.509 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.02 120.0 61.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.41 -0.806 . . . . 0.48999999999999999 109.419 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -77.11 149.04 35.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.432 -0.792 . . . . 2.1000000000000001 110.008 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.8 125.41 0.65 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.65 -0.98 . . . . 0.44 110.65 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.75 -41.21 88.14 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.365 -1.079 . . . . 2.7200000000000002 109.129 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.04 -42.34 94.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.188 -0.945 . . . . 2.21 109.202 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.511 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.7 ttm180 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.331 -0.856 . . . . 2.79 108.972 179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.93 -49.62 76.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.536 -0.728 . . . . 0.45000000000000001 109.05 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.91 -41.39 91.59 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 1.6799999999999999 108.34 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -62.03 -49.96 73.91 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.105 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -62.27 -39.99 94.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.42 -0.8 . . . . 0.28000000000000003 108.979 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.11 -44.44 91.99 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.223 -0.923 . . . . 2.52 109.092 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.02 -48.29 82.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.253 -0.904 . . . . 1.75 108.996 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.53 -44.42 97.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.188 -0.945 . . . . 0.31 109.054 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.239 -0.913 . . . . 1.21 109.032 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.95 -41.28 96.01 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.313 -0.867 . . . . 1.6899999999999999 109.453 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.416 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.95 -49.99 75.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.201 -0.937 . . . . 0.27000000000000002 109.754 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.6 -41.84 98.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.29999999999999999 109.509 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.2 -40.6 90.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.196 -0.94 . . . . 1.9299999999999999 109.378 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.25 -48.88 79.84 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.343 -0.848 . . . . 0.40000000000000002 109.104 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -60.09 -39.87 87.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.401 -0.812 . . . . 1.5900000000000001 109.356 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.5 m-20 -59.65 -39.07 83.18 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 1.4299999999999999 109.431 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.8 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.331 -0.855 . . . . 0.65000000000000002 109.173 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -79.93 -13.22 59.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.19 -0.944 . . . . 1.1899999999999999 109.442 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.0 -10.73 59.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.146 -0.971 . . . . 1.22 109.491 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -81.1 -3.19 90.71 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.502 -1.439 . . . . 1.53 109.502 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -84.59 138.56 32.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.217 -1.167 . . . . 4.21 109.19 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.05 148.23 61.67 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.166 -0.959 . . . . 5.6799999999999997 109.391 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -56.08 165.76 3.73 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 120.962 1.108 . . . . 5.5700000000000003 109.551 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 CA-C-O 118.028 -1.429 . . . . 7.2000000000000002 109.775 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' C' ' 2' ' ' LYS . 60.3 tttp . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.198 0.523 . . . . 8.9600000000000009 109.862 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' C' ' 1' ' ' LYS . 85.7 tttt 172.01 -4.8 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 105.447 -2.057 . . . . 8.1500000000000004 105.447 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.561 ' C ' ' H ' ' C' ' 5' ' ' LEU . 91.8 mttt 49.7 63.84 9.52 Favored Pre-proline 0 N--CA 1.486 1.331 0 CA-C-N 115.567 -0.742 . . . . 7.1500000000000004 109.124 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -64.48 27.95 0.08 OUTLIER 'Trans proline' 0 C--N 1.32 -0.932 0 C-N-CA 121.423 1.415 . . . . 4.3499999999999996 110.371 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' C' ' 3' ' ' LYS . 73.8 mt -81.45 119.53 23.84 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.858 -1.151 . . . . 4.6299999999999999 108.966 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -79.74 151.79 30.21 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.158 -0.963 . . . . 2.8500000000000001 109.645 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.32 146.69 46.26 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.452 -1.459 . . . . 1.1200000000000001 109.452 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.73 139.99 57.7 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -1.133 . . . . 2.1099999999999999 109.561 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . 0.487 ' CB ' HE21 ' A' ' 13' ' ' GLN . 97.5 m-85 -107.26 147.26 30.43 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.432 -0.793 . . . . 0.64000000000000001 109.125 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.57 136.67 43.16 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.279 -0.888 . . . . 0.48999999999999999 109.929 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -89.37 153.75 20.61 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.653 -0.869 . . . . 0.46999999999999997 108.653 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -147.97 132.83 18.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.896 -1.127 . . . . 0.41999999999999998 109.335 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -83.85 128.94 34.9 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.308 -0.997 . . . . 1.8100000000000001 108.308 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -119.98 119.98 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.36 -0.838 . . . . 0.41999999999999998 109.544 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -77.39 148.81 35.32 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.394 -0.816 . . . . 2.3500000000000001 110.375 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.22 125.03 0.68 Allowed Glycine 0 N--CA 1.494 2.51 0 N-CA-C 110.463 -1.055 . . . . 0.40999999999999998 110.463 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.49 -40.99 89.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.267 -1.137 . . . . 2.5899999999999999 109.175 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.03 -42.43 94.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 2.54 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.56 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 41.7 ttm180 -60.73 -40.12 91.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.245 -0.91 . . . . 3.3900000000000001 108.952 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -59.97 -49.64 76.88 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.874 -0.787 . . . . 0.46999999999999997 108.874 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.98 -41.41 91.96 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.376 -0.972 . . . . 1.6599999999999999 108.376 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -62.17 -49.85 74.18 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.476 -0.765 . . . . 0.60999999999999999 109.042 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.2 -40.09 94.92 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.412 -0.805 . . . . 0.33000000000000002 109.005 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -58.74 -44.73 90.57 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.353 -0.842 . . . . 3.2799999999999998 109.203 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.05 -48.05 83.31 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.255 -0.903 . . . . 1.78 109.048 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.52 -44.63 96.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.38 109.032 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -59.98 -49.99 75.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 1.2 109.236 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -60.77 -41.1 94.85 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.289 -0.882 . . . . 2.1200000000000001 109.427 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.327 -0.858 . . . . 0.26000000000000001 109.859 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.74 -41.89 98.25 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.394 -0.816 . . . . 0.40000000000000002 109.464 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.02 -40.53 89.64 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.955 . . . . 2.0899999999999999 109.406 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.26 -48.93 79.65 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.88 . . . . 0.75 109.159 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.07 -39.92 87.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.428 -0.795 . . . . 2.1899999999999999 109.421 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 99.7 m-20 -59.74 -39.32 84.35 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.326 -0.859 . . . . 1.3400000000000001 109.471 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -39.65 86.37 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.166 -0.959 . . . . 0.71999999999999997 108.876 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.0 -12.84 59.67 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.147 -0.971 . . . . 1.8 109.431 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.65 -12.24 60.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.109 -0.994 . . . . 1.3899999999999999 109.402 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.82 -2.7 88.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.721 -1.351 . . . . 1.6599999999999999 109.721 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -84.5 139.41 32.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.14 -1.212 . . . . 4.4500000000000002 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.86 148.3 69.61 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.307 -0.87 . . . . 6.1900000000000004 109.337 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.14 165.9 3.68 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 120.916 1.077 . . . . 5.5800000000000001 109.466 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 CA-C-O 117.979 -1.456 . . . . 6.9000000000000004 109.561 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' D' ' 2' ' ' LYS . 57.0 tttp . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 108.868 -0.79 . . . . 7.3600000000000003 108.868 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' D' ' 1' ' ' LYS . 76.6 tttt 96.32 -5.46 0.07 Allowed 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 123.021 0.529 . . . . 7.1500000000000004 109.862 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' D' ' 5' ' ' LEU . 88.5 mttt 43.65 67.64 3.64 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 6.5 110.413 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -64.87 28.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.316 -1.146 0 C-N-CA 121.489 1.459 . . . . 4.5 110.782 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' D' ' 3' ' ' LYS . 76.7 mt -81.88 120.14 24.82 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.858 -1.151 . . . . 4.3200000000000003 108.983 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -80.02 151.83 29.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.239 -0.913 . . . . 2.46 109.635 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.69 146.97 46.08 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.393 -1.483 . . . . 0.96999999999999997 109.393 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.96 139.96 57.9 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.343 -1.092 . . . . 1.6699999999999999 109.633 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.408 ' CB ' HE21 ' B' ' 13' ' ' GLN . 97.0 m-85 -107.66 147.54 30.55 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.505 -0.747 . . . . 0.60999999999999999 109.123 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.97 136.17 42.0 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.329 -0.857 . . . . 0.56000000000000005 109.955 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 82.7 p -88.95 152.85 21.47 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.576 -0.898 . . . . 0.42999999999999999 108.576 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 tp -147.16 133.07 19.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.933 -1.104 . . . . 0.34999999999999998 109.356 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . 0.441 HE21 ' CB ' ' B' ' 9' ' ' TYR . 61.9 tt0 -84.32 129.13 34.9 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 108.381 -0.97 . . . . 1.3700000000000001 108.381 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.04 120.05 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 O-C-N 121.393 -0.817 . . . . 0.47999999999999998 109.499 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -77.18 148.22 36.03 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.539 -0.726 . . . . 2.0800000000000001 110.131 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 124.82 0.7 Allowed Glycine 0 N--CA 1.493 2.5 0 N-CA-C 110.561 -1.016 . . . . 0.40000000000000002 110.561 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -66.02 -41.49 90.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.221 -1.164 . . . . 2.6400000000000001 109.159 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.01 -42.22 93.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.148 -0.97 . . . . 2.2200000000000002 109.15 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.517 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 41.7 ttm180 -60.78 -40.04 91.11 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.232 -0.917 . . . . 2.7400000000000002 108.933 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -59.93 -49.86 76.02 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.484 -0.76 . . . . 0.42999999999999999 109.079 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.87 -41.36 91.34 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.44 -0.948 . . . . 1.6899999999999999 108.44 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 59.2 ttp -61.96 -50.06 73.64 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.489 -0.757 . . . . 0.42999999999999999 108.961 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -62.02 -40.06 94.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.348 -0.845 . . . . 0.27000000000000002 109.023 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -59.02 -44.36 91.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.313 -0.867 . . . . 2.4500000000000002 109.11 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.0 -48.69 80.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.274 -0.892 . . . . 1.75 109.058 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.03 -44.65 97.09 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.187 -0.945 . . . . 0.31 109.104 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.99 -50.01 75.43 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.349 -0.844 . . . . 1.22 109.225 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.88 -41.1 95.32 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.301 -0.874 . . . . 1.73 109.329 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.97 -50.0 75.48 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.258 -0.901 . . . . 0.28000000000000003 109.713 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.3 mt -61.93 -41.76 98.31 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.183 -0.948 . . . . 0.31 109.502 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.1 -40.95 91.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.17 -0.957 . . . . 1.9099999999999999 109.322 179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.13 -48.86 79.95 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.296 -0.878 . . . . 0.42999999999999999 109.099 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -60.0 -39.93 87.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 1.5700000000000001 109.466 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.511 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.6 m-20 -59.58 -39.1 83.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.264 -0.898 . . . . 1.4399999999999999 109.639 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.56 86.3 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.18 -0.95 . . . . 0.64000000000000001 109.003 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.09 -12.6 59.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.141 -0.975 . . . . 1.21 109.451 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.32 60.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.123 -0.985 . . . . 1.22 109.325 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.82 -2.88 90.41 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.613 -1.395 . . . . 1.5 109.613 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -84.48 140.26 31.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -1.182 . . . . 4.1799999999999997 109.082 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -59.92 148.35 77.04 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.094 -1.003 . . . . 5.6699999999999999 109.607 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -55.43 166.36 2.6 Favored 'Trans proline' 0 C--O 1.215 -0.662 0 C-N-CA 120.945 1.097 . . . . 5.6500000000000004 109.602 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 CA-C-O 117.927 -1.485 . . . . 7.2699999999999996 109.586 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 121.284 0.564 . . . . 7.3300000000000001 109.497 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 49.9 -140.04 0.81 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.281 -0.887 . . . . 7.21 109.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 45.73 63.15 9.87 Favored Pre-proline 0 N--CA 1.492 1.647 0 O-C-N 121.147 -0.97 . . . . 6.4699999999999998 109.997 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.66 -86.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -0.976 0 C-N-CA 121.426 1.417 . . . . 4.5300000000000002 109.683 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.2 mm? -80.39 125.06 29.44 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.837 -1.165 . . . . 4.3499999999999996 108.967 179.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.63 139.99 35.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.181 -0.95 . . . . 2.48 109.199 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.08 138.66 31.37 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.527 -1.429 . . . . 0.97999999999999998 109.527 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.9 137.48 58.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.338 -1.095 . . . . 1.7 109.366 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.0 140.05 38.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.461 -0.774 . . . . 0.60999999999999999 109.806 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -134.39 139.89 45.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.57999999999999996 109.174 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 p -87.85 158.16 18.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.325 -0.86 . . . . 0.41999999999999998 108.77 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.8 126.94 12.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.059 -1.026 . . . . 0.35999999999999999 109.413 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.01 34.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.151 -0.968 . . . . 1.3700000000000001 108.399 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -119.99 119.95 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 O-C-N 121.424 -0.797 . . . . 0.46999999999999997 109.393 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.33 149.49 33.45 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.401 -0.812 . . . . 2.1000000000000001 110.101 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.67 117.6 0.91 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.03 -1.228 . . . . 0.41999999999999998 110.03 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' NH1' ' OE2' ' A' ' 21' ' ' GLU . 46.4 ttt-85 -62.45 -41.57 98.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -1.1 . . . . 2.6800000000000002 109.514 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -60.12 -40.56 90.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.169 -0.957 . . . . 2.2200000000000002 109.774 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -63.44 -39.93 95.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 2.77 109.582 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.22 -49.69 76.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.227 -0.921 . . . . 0.42999999999999999 109.387 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.458 ' OE2' ' NH1' ' A' ' 17' ' ' ARG . 98.8 mt-10 -59.96 -40.65 89.77 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.097 -1.002 . . . . 1.6599999999999999 108.779 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.2 ttp -62.93 -52.13 64.24 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.279 -0.888 . . . . 0.44 109.448 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -63.08 -42.35 99.62 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.271 -0.893 . . . . 0.28999999999999998 108.88 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.71 -43.43 94.15 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.593 -0.891 . . . . 2.4399999999999999 108.593 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.08 -49.72 76.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -0.832 . . . . 1.74 108.852 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.4 -45.15 94.62 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.501 -0.925 . . . . 0.29999999999999999 108.501 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.94 -49.88 75.97 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.424 -0.798 . . . . 1.22 109.193 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -39.9 93.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.502 -0.749 . . . . 1.72 109.829 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.64 -46.52 86.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.232 -0.917 . . . . 0.27000000000000002 109.29 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.45 -41.21 98.59 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.104 -0.997 . . . . 0.28999999999999998 108.865 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.22 -42.9 96.18 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.26 -0.9 . . . . 1.9099999999999999 108.916 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.15 -49.9 75.83 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.498 -0.751 . . . . 0.40999999999999998 109.437 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.4 -43.64 98.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.215 -0.928 . . . . 1.5600000000000001 109.297 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -60.0 -40.06 87.91 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.47 -0.769 . . . . 1.4299999999999999 110.01 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.92 94.21 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.201 -0.937 . . . . 0.66000000000000003 109.642 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.04 -8.18 59.57 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.237 -0.915 . . . . 1.1799999999999999 109.907 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -23.05 63.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.217 -0.927 . . . . 1.23 110.204 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.06 -41.87 98.19 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.817 -1.313 . . . . 1.54 109.817 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -87.36 142.78 27.63 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.125 -1.221 . . . . 4.1799999999999997 109.428 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 18.8 mp0 -57.32 148.39 53.58 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.243 -0.911 . . . . 5.71 109.015 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -57.13 147.85 73.08 Favored 'Trans proline' 0 C--N 1.324 -0.741 0 C-N-CA 120.963 1.109 . . . . 5.6100000000000003 109.706 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 CA-C-O 117.941 -1.477 . . . . 7.2400000000000002 109.497 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.392 -0.596 . . . . 7.3399999999999999 109.392 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 49.89 -139.95 0.82 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 7.1699999999999999 109.266 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.6 mttm 46.27 63.02 10.39 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.056 -1.028 . . . . 6.4400000000000004 110.03 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -86.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 121.299 1.333 . . . . 4.54 109.682 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.39 124.83 29.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.809 -1.182 . . . . 4.3200000000000003 109.024 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.11 139.89 36.66 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.351 -0.843 . . . . 2.4700000000000002 109.176 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.22 138.44 30.88 Favored Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.335 -1.506 . . . . 0.94999999999999996 109.335 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.66 137.37 58.19 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.27 -1.135 . . . . 1.6100000000000001 109.49 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.84 140.27 38.37 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.424 -0.798 . . . . 0.56999999999999995 109.88 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -134.77 139.28 45.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.431 -0.793 . . . . 0.53000000000000003 109.204 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 76.3 p -87.53 157.58 19.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.295 -0.878 . . . . 0.38 108.671 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 66.0 tp -147.45 126.84 13.13 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.955 -1.091 . . . . 0.35999999999999999 109.272 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -86.57 126.4 34.45 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.242 -1.021 . . . . 1.3600000000000001 108.242 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.2 mt -120.06 120.09 62.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.48999999999999999 109.346 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -78.1 149.33 33.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.426 -0.796 . . . . 2.1000000000000001 109.928 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.97 117.33 0.95 Allowed Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.134 -1.187 . . . . 0.44 110.134 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.44 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 45.3 ttt-85 -61.93 -42.29 98.94 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.203 -1.175 . . . . 2.7200000000000002 109.684 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -60.12 -40.24 89.07 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.208 -0.933 . . . . 2.21 109.726 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.425 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.6 ttm180 -63.65 -39.87 95.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.208 -0.933 . . . . 2.79 109.664 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.13 -49.79 75.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.341 -0.849 . . . . 0.45000000000000001 109.165 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.44 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.7 mt-10 -59.82 -40.76 89.54 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.071 -1.018 . . . . 1.6799999999999999 108.957 179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 33.6 ttp -63.03 -51.46 66.65 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.22 -0.925 . . . . 0.42999999999999999 109.375 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -63.79 -42.71 97.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.28000000000000003 108.901 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -59.57 -43.43 93.6 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.28 -0.888 . . . . 2.52 108.645 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.02 -49.51 77.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.336 -0.852 . . . . 1.75 108.822 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.0 -44.8 96.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.158 -0.963 . . . . 0.31 108.541 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.34 -49.96 75.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.395 -0.815 . . . . 1.21 109.223 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.549 -0.719 . . . . 1.6899999999999999 109.629 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.2 -46.87 87.31 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.166 -0.959 . . . . 0.27000000000000002 109.409 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -61.75 -41.31 97.51 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.055 -1.028 . . . . 0.29999999999999999 108.755 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.69 94.97 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.143 -0.973 . . . . 1.9299999999999999 109.063 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.27 -50.08 75.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.352 -0.843 . . . . 0.40000000000000002 109.462 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -61.24 -43.95 98.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.222 -0.924 . . . . 1.5900000000000001 109.292 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.02 -40.19 88.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.433 -0.792 . . . . 1.4299999999999999 109.894 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.93 94.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 0.65000000000000002 109.636 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -83.2 -8.29 59.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.232 -0.918 . . . . 1.1899999999999999 109.71 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.68 -23.31 63.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.123 -0.985 . . . . 1.22 110.152 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.04 98.25 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.703 -1.359 . . . . 1.53 109.703 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.43 143.41 27.8 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.21 -1.171 . . . . 4.21 109.534 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' B' ' 40' ' ' GLU . 19.8 mp0 -58.18 148.28 62.75 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 5.6799999999999997 108.811 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -57.39 145.32 88.52 Favored 'Trans proline' 0 C--N 1.321 -0.872 0 C-N-CA 120.87 1.047 . . . . 5.5700000000000003 109.754 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.481 -1.447 . . . . 7.2000000000000002 109.481 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.166 0.508 . . . . 8.9600000000000009 109.646 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 50.05 -140.11 0.82 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.18 -0.95 . . . . 8.1500000000000004 109.238 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 62.9 mttm 46.1 62.97 10.37 Favored Pre-proline 0 N--CA 1.492 1.658 0 O-C-N 120.976 -1.078 . . . . 7.1500000000000004 110.09 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.9 -86.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.33 1.354 . . . . 4.3499999999999996 109.738 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.402 HD22 ' N ' ' C' ' 5' ' ' LEU . 4.2 mm? -80.23 124.95 29.26 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.884 -1.135 . . . . 4.6299999999999999 108.93 179.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.28 139.97 36.41 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.201 -0.937 . . . . 2.8500000000000001 109.212 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.16 137.98 30.36 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.369 -1.492 . . . . 1.1200000000000001 109.369 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.45 137.75 58.1 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.256 -1.143 . . . . 2.1099999999999999 109.356 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.3 140.31 38.62 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.405 -0.809 . . . . 0.64000000000000001 109.779 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -134.84 139.0 44.72 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.353 -0.842 . . . . 0.48999999999999999 109.282 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -87.23 158.2 19.16 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.28 -0.888 . . . . 0.46999999999999997 108.728 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.5 tp -147.79 127.54 13.43 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.102 -0.999 . . . . 0.41999999999999998 109.181 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -87.46 125.95 34.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.328 -0.99 . . . . 1.8100000000000001 108.328 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.93 119.96 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.392 -0.817 . . . . 0.41999999999999998 109.525 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -78.13 147.39 34.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.375 -0.828 . . . . 2.3500000000000001 110.29 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.36 118.24 1.23 Allowed Glycine 0 N--CA 1.496 2.661 0 N-CA-C 109.834 -1.306 . . . . 0.40999999999999998 109.834 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.484 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 43.1 ttt-85 -63.21 -40.55 97.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -1.114 . . . . 2.5899999999999999 109.695 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -61.3 -40.43 94.13 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.174 -0.954 . . . . 2.54 109.559 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -63.36 -39.77 95.45 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.235 -0.916 . . . . 3.3900000000000001 109.508 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.37 -49.76 76.07 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.255 -0.903 . . . . 0.46999999999999997 109.114 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . 0.484 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 99.0 mt-10 -59.93 -40.72 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.939 -1.101 . . . . 1.6599999999999999 109.064 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . 0.567 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 33.0 ttp -62.87 -51.06 68.46 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.60999999999999999 109.448 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.14 -42.69 96.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.28 -0.888 . . . . 0.33000000000000002 108.826 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.59 -43.07 93.8 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.287 -0.883 . . . . 3.2799999999999998 108.732 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.6 77.03 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.362 -0.836 . . . . 1.78 108.794 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -60.66 -44.93 95.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 0.38 108.587 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.06 -49.97 75.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.38 -0.825 . . . . 1.2 109.246 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.8 -39.97 93.58 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.411 -0.805 . . . . 2.1200000000000001 109.767 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.84 -46.81 86.85 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.189 -0.945 . . . . 0.26000000000000001 109.242 -179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.19 -41.39 98.3 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.071 -1.018 . . . . 0.40000000000000002 108.828 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.39 -42.65 96.31 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.3 -0.875 . . . . 2.0899999999999999 108.789 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.411 HD21 ' NE2' ' D' ' 36' ' ' GLN . 60.1 tp -60.03 -49.91 75.81 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.498 -0.751 . . . . 0.75 109.508 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -61.48 -43.7 98.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.273 -0.892 . . . . 2.1899999999999999 109.389 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -60.03 -40.08 88.12 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.538 -0.727 . . . . 1.3400000000000001 110.087 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.79 94.78 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.247 -0.908 . . . . 0.71999999999999997 109.578 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -83.34 -8.01 59.49 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 1.8 109.796 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.45 63.23 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.241 -0.912 . . . . 1.3899999999999999 110.167 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.96 -41.99 98.11 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.82 -1.312 . . . . 1.6599999999999999 109.82 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.78 143.59 27.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.228 -1.16 . . . . 4.4500000000000002 109.516 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.582 ' H ' ' CD ' ' C' ' 40' ' ' GLU . 16.6 mp0 -57.63 148.21 57.55 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.246 -0.909 . . . . 6.1900000000000004 108.982 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -57.12 145.97 83.59 Favored 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 120.854 1.036 . . . . 5.5800000000000001 109.69 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 109.296 -1.522 . . . . 6.9000000000000004 109.296 179.814 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 94.9 mttt . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.319 0.58 . . . . 7.3600000000000003 109.522 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt 50.03 -140.01 0.82 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.241 -0.912 . . . . 7.1500000000000004 109.319 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 46.28 63.08 10.3 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.049 -1.032 . . . . 6.5 110.105 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -86.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.3 1.334 . . . . 4.5 109.711 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -80.04 124.76 29.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.865 -1.147 . . . . 4.3200000000000003 109.091 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -80.2 139.61 36.67 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.142 -0.974 . . . . 2.46 109.328 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 138.31 31.86 Favored Glycine 0 N--CA 1.489 2.194 0 N-CA-C 109.347 -1.501 . . . . 0.96999999999999997 109.347 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.77 136.82 58.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.215 -1.167 . . . . 1.6699999999999999 109.51 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -104.39 140.66 37.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.364 -0.835 . . . . 0.60999999999999999 109.902 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -134.85 139.83 45.35 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.405 -0.81 . . . . 0.56000000000000005 109.205 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -87.92 157.71 18.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.203 -0.936 . . . . 0.42999999999999999 108.704 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.87 126.7 12.68 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.09 -1.006 . . . . 0.34999999999999998 109.373 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -86.54 126.36 34.41 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.347 -0.982 . . . . 1.3700000000000001 108.347 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.12 119.95 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.394 -0.816 . . . . 0.47999999999999998 109.446 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -77.87 149.94 34.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 2.0800000000000001 110.04 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.16 117.74 0.84 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.155 -1.178 . . . . 0.40000000000000002 110.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.489 ' NH1' ' OE2' ' D' ' 21' ' ' GLU . 46.0 ttt-85 -61.97 -42.2 98.86 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.327 -1.102 . . . . 2.6400000000000001 109.667 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.03 -40.09 88.15 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.282 -0.886 . . . . 2.2200000000000002 109.751 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -63.96 -39.29 93.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.288 -0.882 . . . . 2.7400000000000002 109.507 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.76 -49.73 76.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.414 -0.804 . . . . 0.42999999999999999 109.348 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.489 ' OE2' ' NH1' ' D' ' 17' ' ' ARG . 98.9 mt-10 -59.88 -40.28 88.16 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.056 -1.027 . . . . 1.6899999999999999 108.819 179.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 31.1 ttp -63.38 -52.41 61.77 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.227 -0.92 . . . . 0.42999999999999999 109.534 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -63.11 -42.32 99.53 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.211 -0.93 . . . . 0.27000000000000002 108.887 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.8 -43.24 94.57 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.231 -0.918 . . . . 2.4500000000000002 108.703 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -49.82 76.15 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.28 -0.888 . . . . 1.75 108.849 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -44.63 96.05 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.237 -0.914 . . . . 0.31 108.544 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.1 -49.97 75.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.442 -0.786 . . . . 1.22 109.231 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.58 -39.83 92.59 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.535 -0.728 . . . . 1.73 109.946 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.583 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.09 -46.61 87.86 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.217 -0.927 . . . . 0.28000000000000003 109.509 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.39 -40.81 97.7 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.082 -1.011 . . . . 0.31 108.736 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.5 -42.67 96.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.344 -0.848 . . . . 1.9099999999999999 108.913 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.11 -49.95 75.63 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.394 -0.816 . . . . 0.42999999999999999 109.568 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -61.4 -43.7 98.42 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.245 -0.91 . . . . 1.5700000000000001 109.229 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.425 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 94.3 m-20 -60.03 -40.15 88.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.593 -0.692 . . . . 1.4399999999999999 110.039 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.0 94.16 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.067 -1.021 . . . . 0.64000000000000001 109.739 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.411 ' NE2' HD21 ' C' ' 32' ' ' LEU . 27.5 mt-30 -83.07 -8.07 59.58 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 1.21 109.839 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.95 -23.4 63.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.93 . . . . 1.22 110.087 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.88 -41.73 97.87 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.778 -1.329 . . . . 1.5 109.778 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -86.82 144.69 26.92 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.172 -1.193 . . . . 4.1799999999999997 109.315 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . 0.579 ' CD ' ' H ' ' D' ' 40' ' ' GLU . 19.3 mp0 -59.92 148.05 77.83 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 5.6699999999999999 108.947 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -56.76 146.28 78.47 Favored 'Trans proline' 0 C--N 1.324 -0.758 0 C-N-CA 121.06 1.174 . . . . 5.6500000000000004 109.724 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 CA-C-O 117.905 -1.497 . . . . 7.2699999999999996 109.747 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.4 mttp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.406 -0.591 . . . . 7.3300000000000001 109.406 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 50.98 57.23 6.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 7.21 109.296 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.4 mttt 54.08 69.79 2.01 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 6.4699999999999998 109.461 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -65.31 87.92 0.2 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 C-N-CA 121.583 1.522 . . . . 4.5300000000000002 110.006 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.5 mt -83.53 10.06 9.89 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.178 -0.951 . . . . 4.3499999999999996 109.594 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.86 159.98 32.08 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.187 -0.946 . . . . 2.48 109.83 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.03 158.69 51.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.991 -1.244 . . . . 0.97999999999999998 109.991 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.12 140.03 57.15 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.475 -1.014 . . . . 1.7 110.133 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -97.04 145.79 25.62 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.409 -0.807 . . . . 0.60999999999999999 109.0 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -129.21 140.28 51.54 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.325 -0.859 . . . . 0.57999999999999996 110.217 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.0 p -90.02 151.86 21.46 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.372 -0.83 . . . . 0.41999999999999998 108.858 179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -146.68 134.05 20.72 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.027 -1.046 . . . . 0.35999999999999999 109.816 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.07 34.91 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 108.718 -0.845 . . . . 1.3700000000000001 108.718 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.1 121.3 65.5 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.472 -0.767 . . . . 0.46999999999999997 109.964 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.24 146.97 38.65 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.569 -0.707 . . . . 2.1000000000000001 110.394 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.58 125.32 0.62 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.671 -0.972 . . . . 0.41999999999999998 110.671 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -65.22 -43.02 92.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.357 -1.084 . . . . 2.6800000000000002 109.459 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -60.05 -40.06 88.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.037 . . . . 2.2200000000000002 109.616 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.523 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 41.3 ttm180 -61.33 -40.0 92.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.206 -0.934 . . . . 2.77 108.819 179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -60.1 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.449 -0.782 . . . . 0.42999999999999999 109.541 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.56 -42.09 91.65 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.153 -0.967 . . . . 1.6599999999999999 108.896 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 43.2 ttp -62.89 -49.7 73.8 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.337 -0.852 . . . . 0.44 109.269 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.71 -39.97 90.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.323 -0.86 . . . . 0.28999999999999998 109.247 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -57.59 -47.04 83.21 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.207 -0.933 . . . . 2.4399999999999999 108.714 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -45.36 93.05 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.226 -0.921 . . . . 1.74 109.325 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.09 -43.33 98.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 0.29999999999999999 110.035 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -59.96 -49.98 75.53 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 1.22 109.409 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -62.24 -39.96 94.57 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.464 -0.773 . . . . 1.72 109.513 179.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.61 -50.26 74.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.227 -0.921 . . . . 0.27000000000000002 109.667 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.39 -43.05 98.68 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.116 -0.99 . . . . 0.28999999999999998 109.438 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' HH12 ' C' ' 19' ' ' ARG . 43.4 mt-10 -60.78 -40.07 91.22 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.181 -0.95 . . . . 1.9099999999999999 109.438 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.44 -49.92 75.66 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.322 -0.862 . . . . 0.40999999999999998 109.283 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -61.65 -49.53 76.16 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.34 -0.85 . . . . 1.5600000000000001 109.52 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.529 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -59.99 -40.07 87.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.427 -0.796 . . . . 1.4299999999999999 109.838 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.21 -51.4 66.42 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.102 -0.999 . . . . 0.66000000000000003 109.675 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.4 mt-30 -73.07 -39.88 65.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.136 -0.977 . . . . 1.1799999999999999 109.484 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -71.04 -7.66 47.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -0.869 . . . . 1.23 109.682 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.09 3.97 3.75 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.617 -1.393 . . . . 1.54 109.617 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.3 tttm -84.18 132.09 34.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.137 -1.213 . . . . 4.1799999999999997 109.258 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -55.03 133.88 67.9 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.317 -0.864 . . . . 5.71 108.871 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -56.07 136.63 75.96 Favored 'Trans proline' 0 C--O 1.214 -0.701 0 N-CA-C 109.686 -0.928 . . . . 5.6100000000000003 109.686 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 CA-C-O 117.929 -1.484 . . . . 7.2400000000000002 109.448 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.568 -0.53 . . . . 7.3399999999999999 109.568 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 51.2 56.68 7.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.252 -0.905 . . . . 7.1699999999999999 109.43 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 72.8 mttt 54.51 69.47 2.09 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.288 -0.883 . . . . 6.4400000000000004 109.383 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -64.56 88.31 0.17 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 121.501 1.468 . . . . 4.54 110.122 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -83.83 9.83 11.06 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.231 -0.918 . . . . 4.3200000000000003 109.659 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -74.24 159.84 31.94 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.099 -1.0 . . . . 2.4700000000000002 109.893 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.05 159.67 49.36 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.074 -1.21 . . . . 0.94999999999999996 110.074 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.24 139.95 58.04 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.502 -0.999 . . . . 1.6100000000000001 110.05 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -96.74 145.21 26.01 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.362 -0.836 . . . . 0.56999999999999995 109.021 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -128.9 140.18 51.79 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 0.53000000000000003 110.255 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -89.92 151.9 21.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.405 -0.81 . . . . 0.38 108.883 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.6 tp -146.54 133.8 20.59 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.958 -1.089 . . . . 0.35999999999999999 109.843 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -84.12 128.94 34.88 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.764 -0.828 . . . . 1.3600000000000001 108.764 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.05 121.12 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.186 0 O-C-N 121.398 -0.814 . . . . 0.48999999999999999 110.214 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.26 147.41 38.3 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.52 -0.737 . . . . 2.1000000000000001 110.353 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.47 124.8 0.58 Allowed Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.69 -0.964 . . . . 0.44 110.69 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -64.6 -43.41 93.87 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.358 -1.084 . . . . 2.7200000000000002 109.521 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -60.01 -40.02 87.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.116 -0.99 . . . . 2.21 109.639 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.519 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.06 92.27 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.169 -0.957 . . . . 2.79 108.941 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -59.91 -49.04 79.26 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.318 -0.864 . . . . 0.45000000000000001 109.605 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -58.94 -42.75 90.51 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.139 -0.976 . . . . 1.6799999999999999 108.892 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 43.2 ttp -62.27 -50.02 73.35 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.272 -0.892 . . . . 0.42999999999999999 109.433 179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.19 -40.09 88.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.351 -0.843 . . . . 0.28000000000000003 109.199 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -58.08 -46.79 84.88 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.296 -0.877 . . . . 2.52 108.767 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.17 -45.33 93.45 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.203 -0.936 . . . . 1.75 109.186 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.38 -43.02 98.81 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.319 -0.863 . . . . 0.31 110.055 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -60.03 -49.97 75.57 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.084 -1.01 . . . . 1.21 109.23 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' B' ' 28' ' ' GLU . 0.3 OUTLIER -62.23 -39.97 94.58 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.403 -0.81 . . . . 1.6899999999999999 109.66 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.09 75.23 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.209 -0.932 . . . . 0.27000000000000002 109.689 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.48 -43.06 98.38 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 109.368 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.419 ' CG ' HH12 ' D' ' 19' ' ' ARG . 42.7 mt-10 -60.59 -40.23 91.01 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.164 -0.96 . . . . 1.9299999999999999 109.474 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 tp -60.05 -49.95 75.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.309 -0.869 . . . . 0.40000000000000002 109.344 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -61.62 -49.43 76.6 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.403 -0.81 . . . . 1.5900000000000001 109.556 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.525 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.7 m-20 -60.01 -40.25 88.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.365 -0.834 . . . . 1.4299999999999999 110.045 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.29 -50.84 68.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.116 -0.99 . . . . 0.65000000000000002 109.626 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.441 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.5 mt-30 -73.37 -39.66 64.98 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.373 -0.829 . . . . 1.1899999999999999 109.655 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -71.42 -7.92 50.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.335 -0.853 . . . . 1.22 109.669 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.67 3.93 3.36 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.628 -1.389 . . . . 1.53 109.628 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' B' ' 37' ' ' ALA . 64.5 tttm -84.19 131.59 34.74 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.161 -1.199 . . . . 4.21 109.425 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -54.82 133.85 66.06 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 108.837 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -56.01 136.52 75.29 Favored 'Trans proline' 0 C--O 1.216 -0.609 0 N-CA-C 109.76 -0.9 . . . . 5.5700000000000003 109.76 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.321 0 CA-C-O 118.01 -1.439 . . . . 7.2000000000000002 109.508 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.457 -0.571 . . . . 8.9600000000000009 109.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 50.76 56.77 7.46 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.27 -0.894 . . . . 8.1500000000000004 109.398 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 54.66 69.8 1.93 Allowed Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.238 -0.914 . . . . 7.1500000000000004 109.356 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.18 88.2 0.19 Allowed 'Trans proline' 0 C--N 1.317 -1.092 0 C-N-CA 121.595 1.53 . . . . 4.3499999999999996 110.052 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 96.4 mt -83.79 10.01 10.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.253 -0.904 . . . . 4.6299999999999999 109.555 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -73.94 159.79 32.27 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.076 -1.015 . . . . 2.8500000000000001 109.937 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 159.01 51.02 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 110.123 -1.191 . . . . 1.1200000000000001 110.123 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.38 140.01 57.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.393 -1.063 . . . . 2.1099999999999999 109.918 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.83 146.79 24.58 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.438 -0.789 . . . . 0.64000000000000001 108.872 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.66 140.05 50.37 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.245 -0.909 . . . . 0.48999999999999999 110.079 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.6 p -89.81 151.8 21.6 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.875 -0.787 . . . . 0.46999999999999997 108.875 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.5 tp -146.45 133.88 20.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.051 -1.031 . . . . 0.41999999999999998 109.738 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -83.86 129.35 34.93 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.655 -0.869 . . . . 1.8100000000000001 108.655 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.44 121.36 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.175 0 O-C-N 121.389 -0.82 . . . . 0.41999999999999998 110.044 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -76.57 147.53 37.61 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.537 -0.727 . . . . 2.3500000000000001 110.332 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.28 125.67 0.6 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 110.679 -0.968 . . . . 0.40999999999999998 110.679 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.5 -43.07 91.3 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.372 -1.075 . . . . 2.5899999999999999 109.426 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.2 -40.11 88.92 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 2.54 109.602 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.529 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 40.8 ttm180 -61.09 -39.98 92.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.207 -0.933 . . . . 3.3900000000000001 108.978 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -60.1 -48.67 80.75 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.359 -0.838 . . . . 0.46999999999999997 109.62 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.22 -42.26 90.56 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.114 -0.991 . . . . 1.6599999999999999 108.946 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . 0.472 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 44.8 ttp -62.95 -49.67 73.83 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.358 -0.839 . . . . 0.60999999999999999 109.351 179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.5 -40.02 89.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.335 -0.853 . . . . 0.33000000000000002 109.091 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -58.09 -46.48 85.43 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.317 -0.865 . . . . 3.2799999999999998 108.809 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -45.57 92.99 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.238 -0.914 . . . . 1.78 109.263 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.19 -42.81 99.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.294 -0.879 . . . . 0.38 110.071 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -59.98 -50.06 75.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.017 -1.052 . . . . 1.2 109.318 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.537 ' N ' ' OE1' ' C' ' 28' ' ' GLU . 0.3 OUTLIER -62.26 -40.02 94.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.308 -0.87 . . . . 2.1200000000000001 109.545 179.619 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.485 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.54 -50.45 73.75 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.28 -0.888 . . . . 0.26000000000000001 109.724 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.153 -0.967 . . . . 0.40000000000000002 109.412 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.47 ' CG ' HH12 ' A' ' 19' ' ' ARG . 42.8 mt-10 -60.61 -40.26 91.19 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.171 -0.956 . . . . 2.0899999999999999 109.493 179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.13 -49.99 75.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.363 -0.836 . . . . 0.75 109.334 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.65 -49.32 77.03 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.476 -0.765 . . . . 2.1899999999999999 109.582 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.523 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 96.2 m-20 -60.14 -40.51 90.08 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.329 -0.857 . . . . 1.3400000000000001 110.084 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.0 -50.76 69.49 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.166 -0.959 . . . . 0.71999999999999997 109.622 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.439 ' OE1' ' OE1' ' D' ' 36' ' ' GLN . 27.5 mt-30 -73.22 -40.0 65.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.211 -0.931 . . . . 1.8 109.636 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -71.15 -7.15 44.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.381 -0.824 . . . . 1.3899999999999999 109.662 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.54 4.52 3.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.448 -1.461 . . . . 1.6599999999999999 109.448 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' C' ' 37' ' ' ALA . 64.5 tttm -84.53 131.88 34.59 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.313 -1.11 . . . . 4.4500000000000002 109.354 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -55.1 133.93 68.29 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 6.1900000000000004 108.755 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -55.85 137.48 78.82 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 N-CA-C 109.764 -0.898 . . . . 5.5800000000000001 109.764 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 117.955 -1.469 . . . . 6.9000000000000004 109.474 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 59.2 mttp . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.522 -0.547 . . . . 7.3600000000000003 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 50.87 56.91 7.27 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.146 -0.971 . . . . 7.1500000000000004 109.474 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 72.0 mttt 54.08 69.81 2.0 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.177 -0.952 . . . . 6.5 109.398 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -65.22 88.2 0.19 Allowed 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 121.573 1.515 . . . . 4.5 110.076 -179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -83.52 9.94 10.15 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.193 -0.942 . . . . 4.3200000000000003 109.651 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -73.96 160.0 31.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 2.46 109.924 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.92 159.2 51.22 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.116 -1.194 . . . . 0.96999999999999997 110.116 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.21 140.01 57.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.466 -1.02 . . . . 1.6699999999999999 110.096 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -97.12 144.95 26.48 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.318 -0.864 . . . . 0.60999999999999999 109.086 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -128.88 140.05 51.86 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.3 -0.875 . . . . 0.56000000000000005 110.258 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -89.84 152.17 21.4 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.92 -0.77 . . . . 0.42999999999999999 108.92 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 59.5 tp -146.81 133.98 20.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.964 -1.085 . . . . 0.34999999999999998 109.829 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -84.26 129.06 34.91 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.632 -0.877 . . . . 1.3700000000000001 108.632 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.7 mt -120.06 121.42 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.379 -0.825 . . . . 0.47999999999999998 110.216 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -76.33 147.66 37.99 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.518 -0.739 . . . . 2.0800000000000001 110.367 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.16 125.5 0.58 Allowed Glycine 0 N--CA 1.494 2.511 0 N-CA-C 110.717 -0.953 . . . . 0.40000000000000002 110.717 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.3 -43.18 91.92 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.317 -1.108 . . . . 2.6400000000000001 109.473 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -60.01 -40.17 88.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 2.2200000000000002 109.725 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.525 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 40.9 ttm180 -61.08 -40.0 92.03 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.156 -0.965 . . . . 2.7400000000000002 108.94 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -59.99 -48.9 79.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.342 -0.848 . . . . 0.42999999999999999 109.437 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.09 -42.64 90.92 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.139 -0.975 . . . . 1.6899999999999999 108.846 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.506 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 44.7 ttp -62.72 -49.46 74.95 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.267 -0.895 . . . . 0.42999999999999999 109.351 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.7 -39.99 90.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.393 -0.817 . . . . 0.27000000000000002 109.164 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -58.12 -46.54 85.4 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.296 -0.877 . . . . 2.4500000000000002 108.774 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.14 -45.77 91.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.838 . . . . 1.75 109.333 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.26 -42.7 99.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.334 -0.854 . . . . 0.31 110.04 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -60.16 -49.92 75.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.034 -1.041 . . . . 1.22 109.351 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' D' ' 28' ' ' GLU . 0.3 OUTLIER -62.51 -39.98 95.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.49 -0.756 . . . . 1.73 109.467 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.485 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.71 -50.01 75.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.238 -0.914 . . . . 0.28000000000000003 109.665 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.83 -42.48 97.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.195 -0.94 . . . . 0.31 109.457 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.24 -40.01 92.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.145 -0.972 . . . . 1.9099999999999999 109.415 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.07 -49.97 75.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.42999999999999999 109.254 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -61.61 -49.52 76.27 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.451 -0.781 . . . . 1.5700000000000001 109.622 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.519 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 97.2 m-20 -60.01 -39.99 87.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.41 -0.806 . . . . 1.4399999999999999 110.007 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.34 -51.14 67.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.181 -0.949 . . . . 0.64000000000000001 109.527 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.439 ' OE1' ' OE1' ' C' ' 36' ' ' GLN . 27.4 mt-30 -73.07 -40.0 65.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.312 -0.868 . . . . 1.21 109.591 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -71.05 -7.42 46.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.257 -0.902 . . . . 1.22 109.549 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.09 3.76 3.9 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.58 -1.408 . . . . 1.5 109.58 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' D' ' 37' ' ' ALA . 64.4 tttm -83.95 133.14 34.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.244 -1.151 . . . . 4.1799999999999997 109.32 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -56.4 134.92 76.37 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.279 -0.888 . . . . 5.6699999999999999 108.838 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -56.64 134.3 63.52 Favored 'Trans proline' 0 C--O 1.215 -0.627 0 N-CA-C 109.729 -0.912 . . . . 5.6500000000000004 109.729 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.422 -1.471 . . . . 7.2699999999999996 109.422 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.633 ' O ' ' N ' ' A' ' 3' ' ' LYS . 67.6 mttm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 120.622 0.248 . . . . 7.3300000000000001 110.785 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 3' ' ' LYS . 98.5 mttt 49.72 -12.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.443 0 N-CA-C 113.17 0.804 . . . . 7.21 113.17 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.633 ' N ' ' O ' ' A' ' 1' ' ' LYS . 93.8 mttt 42.98 70.36 1.85 Allowed Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 120.522 -1.361 . . . . 6.4699999999999998 110.762 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -57.59 171.18 1.5 Allowed 'Trans proline' 0 C--N 1.319 -1.025 0 C-N-CA 121.221 1.281 . . . . 4.5300000000000002 109.738 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.0 mt -80.67 123.59 28.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.189 -0.944 . . . . 4.3499999999999996 109.772 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.02 170.59 16.25 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.586 -0.696 . . . . 2.48 109.15 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -64.94 143.07 45.98 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.13 -1.588 . . . . 0.97999999999999998 109.13 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.01 137.88 57.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.323 -1.104 . . . . 1.7 110.055 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 97.2 m-85 -110.65 141.51 43.78 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 109.051 -0.722 . . . . 0.60999999999999999 109.051 179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -133.48 139.55 46.73 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.193 -0.942 . . . . 0.57999999999999996 109.938 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.8 p -89.0 155.4 19.51 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.36 -0.838 . . . . 0.41999999999999998 108.798 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 tp -147.15 129.91 16.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.964 -1.085 . . . . 0.35999999999999999 109.534 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -83.03 128.37 34.41 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.749 -0.834 . . . . 1.3700000000000001 108.749 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.03 119.98 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.489 -0.757 . . . . 0.46999999999999997 109.603 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -75.73 147.42 39.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 2.1000000000000001 110.018 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.05 121.9 0.52 Allowed Glycine 0 N--CA 1.495 2.584 0 N-CA-C 110.346 -1.102 . . . . 0.41999999999999998 110.346 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' A' ' 17' ' ' ARG . 34.5 ttt-85 -64.49 -40.83 96.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.309 -1.112 . . . . 2.6800000000000002 109.605 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.76 -40.68 93.42 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.156 -0.965 . . . . 2.2200000000000002 109.141 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.28 -40.05 89.05 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.909 -0.775 . . . . 2.77 108.909 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.23 -49.22 78.69 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.41 -0.806 . . . . 0.42999999999999999 109.32 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.3 88.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.978 -1.076 . . . . 1.6599999999999999 108.639 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.85 -49.92 75.51 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.864 . . . . 0.44 108.761 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.77 -40.02 96.0 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.673 -0.862 . . . . 0.28999999999999998 108.673 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 24' ' ' ARG . 22.3 ttt-85 -56.89 -46.59 81.81 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.418 -0.801 . . . . 2.4399999999999999 109.041 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.95 -47.99 83.52 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.296 -0.878 . . . . 1.74 108.891 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.6 mt -61.98 -45.9 91.59 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.305 -0.872 . . . . 0.29999999999999999 108.929 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -59.92 -50.1 75.1 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.301 -0.875 . . . . 1.22 109.635 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -62.34 -39.94 94.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.885 . . . . 1.72 109.549 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -48.29 82.3 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.186 -0.946 . . . . 0.27000000000000002 109.336 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.53 -42.04 99.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.124 -0.985 . . . . 0.28999999999999998 109.24 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.1 -41.69 93.09 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.138 -0.976 . . . . 1.9099999999999999 109.232 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.28 -44.15 97.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.326 -0.991 . . . . 0.40999999999999998 108.326 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HZ1' ' CD ' ' B' ' 28' ' ' GLU . 20.0 ttmm -60.07 -40.06 88.19 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.031 -0.729 . . . . 1.5600000000000001 109.031 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.0 -39.96 87.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.104 -0.997 . . . . 1.4299999999999999 108.991 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.93 93.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.332 -0.855 . . . . 0.66000000000000003 108.946 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.408 HE22 HD13 ' B' ' 32' ' ' LEU . 7.2 tt0 -71.07 -35.12 71.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.343 -0.848 . . . . 1.1799999999999999 109.57 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.43 -6.33 18.8 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.331 -0.856 . . . . 1.23 109.67 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.32 -1.31 85.76 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.057 -1.617 . . . . 1.54 109.057 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.13 151.85 25.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.405 -1.056 . . . . 4.1799999999999997 109.164 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 2.8 mp0 -57.54 149.29 51.44 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.135 -0.978 . . . . 5.71 109.225 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -53.98 135.86 64.93 Favored 'Trans proline' 0 C--N 1.323 -0.769 0 C-N-CA 121.116 1.211 . . . . 5.6100000000000003 109.935 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 117.974 -1.459 . . . . 7.2400000000000002 109.725 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.623 ' O ' ' N ' ' B' ' 3' ' ' LYS . 67.5 mttm . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 120.647 0.261 . . . . 7.3399999999999999 110.653 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' LYS . 98.4 mttt 49.83 -12.24 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.116 0.784 . . . . 7.1699999999999999 113.116 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.623 ' N ' ' O ' ' B' ' 1' ' ' LYS . 95.7 mttt 42.63 70.27 1.85 Allowed Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 120.533 -1.355 . . . . 6.4400000000000004 110.837 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -57.38 171.42 1.3 Allowed 'Trans proline' 0 C--N 1.316 -1.132 0 C-N-CA 121.183 1.255 . . . . 4.54 109.844 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -80.66 123.48 28.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.172 -0.955 . . . . 4.3200000000000003 109.969 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -80.71 168.21 19.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.416 -0.803 . . . . 2.4700000000000002 109.329 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.455 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -61.34 142.64 48.44 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.415 -1.474 . . . . 0.94999999999999996 109.415 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.17 138.12 57.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -1.152 . . . . 1.6100000000000001 109.92 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 97.4 m-85 -110.68 141.99 43.19 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.6 -0.688 . . . . 0.56999999999999995 109.204 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.28 139.08 45.47 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.243 -0.91 . . . . 0.53000000000000003 109.997 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.9 p -89.3 154.98 19.67 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.288 -0.882 . . . . 0.38 108.658 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 62.8 tp -146.66 130.28 16.93 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.053 -1.029 . . . . 0.35999999999999999 109.606 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -83.19 128.35 34.42 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 1.3600000000000001 108.84 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.03 119.99 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.414 -0.804 . . . . 0.48999999999999999 109.807 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.56 147.01 40.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.449 -0.782 . . . . 2.1000000000000001 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.31 122.36 0.57 Allowed Glycine 0 N--CA 1.493 2.437 0 N-CA-C 110.218 -1.153 . . . . 0.44 110.218 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.423 ' NH1' ' OE2' ' B' ' 21' ' ' GLU . 33.4 ttt-85 -64.72 -40.87 96.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.29 -1.123 . . . . 2.7200000000000002 109.41 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.53 -41.49 94.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 2.21 109.144 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.898 -0.778 . . . . 2.79 108.898 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.34 -49.48 77.66 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.395 -0.816 . . . . 0.45000000000000001 109.386 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.423 ' OE2' ' NH1' ' B' ' 17' ' ' ARG . 98.9 mt-10 -59.79 -40.26 87.73 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.949 -1.094 . . . . 1.6799999999999999 108.62 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -60.61 -50.02 75.21 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.381 -0.825 . . . . 0.42999999999999999 108.873 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.68 -40.05 95.88 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.621 -0.881 . . . . 0.28000000000000003 108.621 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.444 ' HG2' HH11 ' B' ' 24' ' ' ARG . 23.3 ttt-85 -56.7 -46.59 81.13 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.438 -0.789 . . . . 2.52 109.051 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.02 -48.02 83.43 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.26 -0.9 . . . . 1.75 108.833 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.24 -45.54 92.88 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.262 -0.899 . . . . 0.31 108.934 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -60.05 -50.29 74.29 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.347 -0.846 . . . . 1.21 109.64 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.586 ' CD ' ' HZ1' ' A' ' 33' ' ' LYS . 86.0 tt0 -62.27 -40.0 94.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 1.6899999999999999 109.493 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.78 80.31 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.313 -0.867 . . . . 0.27000000000000002 109.387 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.59 -41.47 98.98 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.065 -1.022 . . . . 0.29999999999999999 109.244 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.09 -41.68 93.01 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.092 -1.005 . . . . 1.9299999999999999 109.217 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.408 HD13 HE22 ' A' ' 36' ' ' GLN . 55.8 tp -61.46 -44.15 97.61 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.24 -1.022 . . . . 0.40000000000000002 108.24 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -59.99 -39.91 87.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.541 -0.724 . . . . 1.5900000000000001 109.074 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.259 -0.9 . . . . 1.4299999999999999 108.892 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.04 -40.02 94.31 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.332 -0.855 . . . . 0.65000000000000002 109.009 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.74 -35.85 72.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.319 -0.863 . . . . 1.1899999999999999 109.54 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.34 -6.07 17.16 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.254 -0.904 . . . . 1.22 109.683 -179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.13 -1.54 85.69 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 108.986 -1.645 . . . . 1.53 108.986 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.3 152.07 25.29 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.315 -1.109 . . . . 4.21 109.269 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 40' ' ' GLU . 2.9 mp0 -57.56 149.14 52.48 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 5.6799999999999997 109.283 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -54.5 135.8 67.57 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 121.197 1.265 . . . . 5.5700000000000003 109.979 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.485 -1.446 . . . . 7.2000000000000002 109.485 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.614 ' O ' ' N ' ' C' ' 3' ' ' LYS . 67.7 mttm . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.67 0.272 . . . . 8.9600000000000009 110.659 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 49.78 -12.07 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.427 0 N-CA-C 113.084 0.772 . . . . 8.1500000000000004 113.084 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.614 ' N ' ' O ' ' C' ' 1' ' ' LYS . 96.1 mttt 42.84 70.33 1.85 Allowed Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 120.606 -1.309 . . . . 7.1500000000000004 110.804 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -57.78 171.02 1.67 Allowed 'Trans proline' 0 C--N 1.318 -1.054 0 C-N-CA 121.296 1.33 . . . . 4.3499999999999996 109.911 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 90.0 mt -80.72 124.24 28.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.14 -0.975 . . . . 4.6299999999999999 109.706 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -80.54 169.93 17.02 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 2.8500000000000001 109.106 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . 0.448 ' O ' ' CE1' ' C' ' 9' ' ' TYR . . . -63.88 143.16 47.38 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.223 -1.551 . . . . 1.1200000000000001 109.223 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.19 138.47 57.91 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.225 -1.161 . . . . 2.1099999999999999 109.942 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . 0.448 ' CE1' ' O ' ' C' ' 7' ' ' GLY . 97.1 m-85 -110.96 141.68 44.07 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 109.02 -0.733 . . . . 0.64000000000000001 109.02 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.61 139.71 46.68 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.258 -0.901 . . . . 0.48999999999999999 109.975 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 60.7 p -89.24 155.44 19.39 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.643 -0.873 . . . . 0.46999999999999997 108.643 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.47 129.49 15.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.036 -1.04 . . . . 0.41999999999999998 109.556 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -82.5 128.58 34.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.263 -0.898 . . . . 1.8100000000000001 108.795 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.0 120.02 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.365 -0.835 . . . . 0.41999999999999998 109.66 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -75.77 147.25 39.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.39 -0.818 . . . . 2.3500000000000001 110.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.4 122.43 0.58 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 110.235 -1.146 . . . . 0.40999999999999998 110.235 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' C' ' 21' ' ' GLU . 34.5 ttt-85 -64.68 -41.08 96.32 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.342 -1.093 . . . . 2.5899999999999999 109.643 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.76 -40.97 94.46 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 2.54 109.103 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.95 -40.12 87.89 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.451 -0.781 . . . . 3.3900000000000001 108.912 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.32 -49.19 78.79 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.421 -0.799 . . . . 0.46999999999999997 109.353 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . 0.431 ' OE2' ' NH1' ' C' ' 17' ' ' ARG . 98.9 mt-10 -59.95 -40.22 88.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.065 . . . . 1.6599999999999999 108.6 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 57.4 ttp -60.82 -49.98 75.3 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.439 -0.788 . . . . 0.60999999999999999 109.058 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.02 -40.02 96.5 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.574 -0.899 . . . . 0.33000000000000002 108.574 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' C' ' 24' ' ' ARG . 21.7 ttt-85 -56.84 -46.57 81.62 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.479 -0.763 . . . . 3.2799999999999998 109.029 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.02 -48.23 82.57 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.284 -0.885 . . . . 1.78 108.792 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.81 -45.89 91.87 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.213 -0.93 . . . . 0.38 109.043 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.98 -50.36 74.04 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.363 -0.836 . . . . 1.2 109.532 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.656 ' CD ' ' HZ1' ' D' ' 33' ' ' LYS . 85.8 tt0 -61.9 -40.03 94.02 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.235 -0.915 . . . . 2.1200000000000001 109.5 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.75 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.301 -0.875 . . . . 0.26000000000000001 109.392 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.27 -41.77 98.76 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.113 -0.992 . . . . 0.40000000000000002 109.137 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.03 -41.81 93.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 2.0899999999999999 109.294 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.526 HD13 HE22 ' D' ' 36' ' ' GLN . 56.6 tp -61.35 -43.95 98.01 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.265 -1.013 . . . . 0.75 108.265 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.547 ' HZ1' ' CD ' ' D' ' 28' ' ' GLU . 19.8 ttmm -60.14 -39.99 88.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.552 -0.718 . . . . 2.1899999999999999 109.09 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.02 -39.94 87.59 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.206 -0.934 . . . . 1.3400000000000001 108.979 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.08 94.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.364 -0.835 . . . . 0.71999999999999997 108.886 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.458 HE22 HD13 ' D' ' 32' ' ' LEU . 7.2 tt0 -70.92 -34.98 72.06 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.393 -0.817 . . . . 1.8 109.625 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.55 -7.0 22.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.202 -0.936 . . . . 1.3899999999999999 109.736 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.56 -1.87 83.62 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.047 -1.621 . . . . 1.6599999999999999 109.047 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.64 151.96 26.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.468 -1.019 . . . . 4.4500000000000002 109.251 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' C' ' 40' ' ' GLU . 3.1 mp0 -57.34 149.32 49.18 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 6.1900000000000004 109.234 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -54.15 134.56 60.89 Favored 'Trans proline' 0 C--N 1.323 -0.79 0 C-N-CA 121.082 1.188 . . . . 5.5800000000000001 110.086 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 117.951 -1.472 . . . . 6.9000000000000004 109.681 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.791 ' O ' ' N ' ' D' ' 3' ' ' LYS . 65.1 mttm . . . . . 0 C--O 1.197 -1.67 0 N-CA-C 107.705 -1.22 . . . . 7.3600000000000003 107.705 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -35.33 -4.79 0.0 OUTLIER 'General case' 0 C--N 1.287 -2.131 0 N-CA-C 113.678 0.992 . . . . 7.1500000000000004 113.678 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.791 ' N ' ' O ' ' D' ' 1' ' ' LYS . 91.2 mttt 50.39 67.02 4.77 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 120.209 -1.557 . . . . 6.5 109.483 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -57.21 170.59 1.54 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.165 1.243 . . . . 4.5 109.507 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.89 124.62 28.82 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.104 -0.998 . . . . 4.3200000000000003 109.543 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.43 170.24 16.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.385 -0.822 . . . . 2.46 109.263 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . 0.447 ' O ' ' CE1' ' D' ' 9' ' ' TYR . . . -64.06 142.82 46.74 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.133 -1.587 . . . . 0.96999999999999997 109.133 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 138.46 57.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.152 -1.205 . . . . 1.6699999999999999 109.91 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.447 ' CE1' ' O ' ' D' ' 7' ' ' GLY . 97.1 m-85 -110.98 141.93 43.77 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 109.175 -0.676 . . . . 0.60999999999999999 109.175 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -133.88 139.06 45.96 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.263 -0.898 . . . . 0.56000000000000005 109.925 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -88.99 154.93 19.82 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 108.666 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.8 tp -146.47 130.28 17.12 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.032 -1.042 . . . . 0.34999999999999998 109.46 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -83.3 128.28 34.37 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.577 -0.898 . . . . 1.3700000000000001 108.577 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.3 mt -120.03 120.02 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.41 -0.806 . . . . 0.47999999999999998 109.791 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -75.9 147.14 39.21 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.514 -0.742 . . . . 2.0800000000000001 110.012 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.48 122.09 0.58 Allowed Glycine 0 N--CA 1.494 2.509 0 N-CA-C 110.281 -1.128 . . . . 0.40000000000000002 110.281 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' D' ' 17' ' ' ARG . 35.0 ttt-85 -64.44 -41.23 96.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -1.103 . . . . 2.6400000000000001 109.421 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.57 -40.95 93.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.13 -0.981 . . . . 2.2200000000000002 109.156 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.05 -40.12 88.32 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.355 -0.841 . . . . 2.7400000000000002 109.025 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -59.07 -48.97 79.64 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.362 -0.836 . . . . 0.42999999999999999 109.279 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.99 -40.57 89.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.909 -1.119 . . . . 1.6899999999999999 108.75 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -60.8 -50.14 74.67 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.374 -0.829 . . . . 0.42999999999999999 108.918 179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.75 -39.94 95.7 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.634 -0.876 . . . . 0.27000000000000002 108.634 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . 0.459 ' HG2' HH11 ' D' ' 24' ' ' ARG . 22.9 ttt-85 -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.473 -0.767 . . . . 2.4500000000000002 109.004 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.08 -47.98 83.64 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.326 -0.859 . . . . 1.75 108.86 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.0 -45.77 92.15 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.155 -0.966 . . . . 0.31 108.865 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -60.01 -50.33 74.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.358 -0.839 . . . . 1.22 109.617 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . 0.547 ' CD ' ' HZ1' ' C' ' 33' ' ' LYS . 85.9 tt0 -62.03 -40.02 94.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.317 -0.864 . . . . 1.73 109.429 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.443 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.83 -48.9 79.84 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.187 -0.946 . . . . 0.28000000000000003 109.363 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.95 -42.11 98.74 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.123 -0.985 . . . . 0.31 109.157 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -41.16 92.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.043 -1.036 . . . . 1.9099999999999999 109.34 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.458 HD13 HE22 ' C' ' 36' ' ' GLN . 56.0 tp -61.89 -43.98 97.74 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.207 -1.034 . . . . 0.42999999999999999 108.207 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . 0.656 ' HZ1' ' CD ' ' C' ' 28' ' ' GLU . 19.7 ttmm -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.049 -0.723 . . . . 1.5700000000000001 109.049 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -60.08 -39.88 87.6 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.053 -1.03 . . . . 1.4399999999999999 108.979 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.99 94.19 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.249 -0.907 . . . . 0.64000000000000001 108.871 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.526 HE22 HD13 ' C' ' 32' ' ' LEU . 7.3 tt0 -70.95 -35.25 72.1 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 1.21 109.473 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.54 -6.84 21.71 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 1.22 109.684 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.95 -1.81 85.6 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.173 -1.571 . . . . 1.5 109.173 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -82.26 154.4 25.39 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.336 -1.097 . . . . 4.1799999999999997 109.114 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . 0.514 ' H ' ' CD ' ' D' ' 40' ' ' GLU . 2.9 mp0 -60.1 148.96 76.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.161 -0.962 . . . . 5.6699999999999999 109.138 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -53.28 136.98 63.8 Favored 'Trans proline' 0 C--N 1.324 -0.729 0 C-N-CA 121.145 1.23 . . . . 5.6500000000000004 109.952 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 CA-C-O 118.075 -1.403 . . . . 7.2699999999999996 109.632 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 3' ' ' LYS . 86.3 tttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.08 -0.711 . . . . 7.3300000000000001 109.08 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 3' ' ' LYS . 45.1 tttp 63.02 -62.15 0.13 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.829 -0.544 . . . . 7.21 110.108 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 1' ' ' LYS . 79.0 mttt 57.17 153.64 0.07 OUTLIER Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.775 -0.578 . . . . 6.4699999999999998 109.67 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.01 -162.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 121.197 1.264 . . . . 4.5300000000000002 109.897 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.32 147.9 32.28 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.342 -0.849 . . . . 4.3499999999999996 109.503 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -79.55 160.9 26.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 2.48 109.323 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.79 154.37 53.02 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.356 -1.498 . . . . 0.97999999999999998 109.356 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.05 140.01 57.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.279 -1.13 . . . . 1.7 109.89 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -103.04 140.38 37.36 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 0.60999999999999999 109.461 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -130.42 139.2 50.6 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.435 -0.791 . . . . 0.57999999999999996 109.49 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.0 p -88.63 156.34 19.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.376 -0.827 . . . . 0.41999999999999998 108.795 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -147.95 129.96 15.37 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.224 -0.922 . . . . 0.35999999999999999 109.081 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -84.49 129.0 34.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.261 -0.899 . . . . 1.3700000000000001 109.097 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.83 119.96 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.486 -0.759 . . . . 0.46999999999999997 109.434 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -77.59 149.69 34.79 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.17 -0.956 . . . . 2.1000000000000001 110.219 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.66 124.47 0.47 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 110.37 -1.092 . . . . 0.41999999999999998 110.37 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.87 -40.06 91.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.378 -1.072 . . . . 2.6800000000000002 109.552 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.96 -42.41 94.04 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.199 -0.938 . . . . 2.2200000000000002 108.766 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.65 -40.91 98.52 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.228 -0.92 . . . . 2.77 108.573 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -60.01 -49.99 75.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.427 -0.796 . . . . 0.42999999999999999 109.64 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.97 -40.03 87.69 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.055 -1.028 . . . . 1.6599999999999999 108.293 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.7 ttp -61.55 -49.92 74.72 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.53 -0.731 . . . . 0.44 109.54 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.09 -40.09 94.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.396 -0.815 . . . . 0.28999999999999998 109.672 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' HG3' ' A' ' 24' ' ' ARG . 28.4 ttm-85 -59.2 -41.2 87.98 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.023 -1.048 . . . . 2.4399999999999999 108.932 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -59.93 -49.21 78.59 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.399 -0.963 . . . . 1.74 108.399 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.6 mt -61.44 -48.52 80.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.303 -0.873 . . . . 0.29999999999999999 108.665 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.498 -0.751 . . . . 1.22 108.982 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.502 ' HB3' ' HZ1' ' B' ' 33' ' ' LYS . 88.3 tt0 -60.05 -41.42 92.27 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 1.72 109.107 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -60.01 -49.45 77.61 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 0.27000000000000002 109.335 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.15 -43.07 99.46 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.124 -0.985 . . . . 0.28999999999999998 109.251 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -40.15 90.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 1.9099999999999999 109.252 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.01 -49.49 77.46 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.454 -0.943 . . . . 0.40999999999999998 108.454 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -60.02 -39.92 87.52 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.451 -0.78 . . . . 1.5600000000000001 109.151 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.365 -0.835 . . . . 1.4299999999999999 109.425 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.0 94.23 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.427 -0.796 . . . . 0.66000000000000003 109.746 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.585 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 78.1 mt-30 -80.82 -10.28 59.74 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.095 -1.003 . . . . 1.1799999999999999 109.733 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -69.94 -36.0 74.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.177 -0.952 . . . . 1.23 109.659 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.55 46.53 0.2 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 110.125 -1.19 . . . . 1.54 110.125 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 37' ' ' ALA . 87.6 tttt -83.61 136.57 34.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.074 -1.251 . . . . 4.1799999999999997 109.171 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -56.48 150.39 34.46 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.186 -0.946 . . . . 5.71 108.673 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.13 168.6 0.86 Allowed 'Trans proline' 0 C--N 1.32 -0.93 0 C-N-CA 120.928 1.086 . . . . 5.6100000000000003 109.946 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 117.963 -1.465 . . . . 7.2400000000000002 109.56 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 3' ' ' LYS . 85.9 tttt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.397 -0.594 . . . . 7.3399999999999999 109.397 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' B' ' 3' ' ' LYS . 45.6 tttp 63.57 -61.63 0.15 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.916 -0.49 . . . . 7.1699999999999999 109.961 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' B' ' 1' ' ' LYS . 80.0 mttt 56.7 153.87 0.07 OUTLIER Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.731 -0.606 . . . . 6.4400000000000004 109.795 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.07 -162.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 121.199 1.266 . . . . 4.54 109.982 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.4 147.95 32.16 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.316 -0.865 . . . . 4.3200000000000003 109.579 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -79.87 159.88 26.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.314 -0.867 . . . . 2.4700000000000002 109.278 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.07 154.14 51.49 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.456 -1.458 . . . . 0.94999999999999996 109.456 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.95 139.42 57.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.274 -1.133 . . . . 1.6100000000000001 109.942 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.1 141.22 35.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.473 -0.767 . . . . 0.56999999999999995 109.496 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -131.3 138.2 49.15 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.45 -0.781 . . . . 0.53000000000000003 109.648 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 50.0 p -88.1 155.09 19.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.343 -0.848 . . . . 0.38 109.133 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.4 tp -146.84 129.91 16.42 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.19 -0.944 . . . . 0.35999999999999999 109.155 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.31 128.46 34.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.318 -0.864 . . . . 1.3600000000000001 109.093 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.37 120.0 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.104 0 O-C-N 121.418 -0.801 . . . . 0.48999999999999999 109.255 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -77.37 149.67 35.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.138 -0.976 . . . . 2.1000000000000001 110.086 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.46 126.37 0.54 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.211 -1.156 . . . . 0.44 110.211 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -67.57 -39.92 84.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.475 -1.015 . . . . 2.7200000000000002 109.45 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.04 -42.51 94.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.19 -0.943 . . . . 2.21 108.796 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -62.44 -40.72 97.49 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.253 -0.904 . . . . 2.79 108.621 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.08 -49.87 75.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.445 -0.785 . . . . 0.45000000000000001 109.64 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.41 89.06 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 62.9 ttp -61.6 -49.6 75.96 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.614 -0.679 . . . . 0.42999999999999999 109.412 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.09 -40.42 95.79 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.473 -0.767 . . . . 0.28000000000000003 109.504 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 24' ' ' ARG . 27.7 ttm-85 -59.29 -41.22 88.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.068 -1.02 . . . . 2.52 109.046 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.07 -49.28 78.26 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.501 -0.926 . . . . 1.75 108.501 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.29 -48.51 81.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.291 -0.881 . . . . 0.31 108.738 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.02 -48.52 81.37 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.835 -0.802 . . . . 1.21 108.835 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.0 -41.32 91.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.407 -0.808 . . . . 1.6899999999999999 109.202 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.674 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.96 -49.02 79.33 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.288 -0.882 . . . . 0.27000000000000002 109.44 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.56 -42.71 99.23 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.184 -0.948 . . . . 0.29999999999999999 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.99 -40.06 92.03 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.252 -0.905 . . . . 1.9299999999999999 108.998 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.98 -49.76 76.4 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.521 -0.918 . . . . 0.40000000000000002 108.521 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' A' ' 28' ' ' GLU . 35.2 ttmt -60.0 -40.0 87.7 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.549 -0.72 . . . . 1.5900000000000001 109.066 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -60.0 -39.99 87.68 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.389 -0.819 . . . . 1.4299999999999999 109.477 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.22 94.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.65000000000000002 109.807 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.585 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 78.2 mt-30 -80.49 -10.6 59.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.191 -0.943 . . . . 1.1899999999999999 109.798 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' B' ' 39' ' ' LYS . . . -69.34 -36.34 76.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.2 -0.937 . . . . 1.22 109.551 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.49 47.07 0.2 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 110.179 -1.168 . . . . 1.53 110.179 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' B' ' 37' ' ' ALA . 87.5 tttt -83.84 136.77 33.99 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.053 -1.263 . . . . 4.21 109.116 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 150.38 37.03 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.135 -0.978 . . . . 5.6799999999999997 108.637 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -54.11 170.32 0.52 Allowed 'Trans proline' 0 C--N 1.322 -0.839 0 C-N-CA 120.9 1.067 . . . . 5.5700000000000003 109.909 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 CA-C-O 117.929 -1.484 . . . . 7.2000000000000002 109.562 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' C' ' 3' ' ' LYS . 86.6 tttt . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.122 -0.696 . . . . 8.9600000000000009 109.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' C' ' 3' ' ' LYS . 45.1 tttp 63.81 -61.78 0.16 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.879 -0.513 . . . . 8.1500000000000004 110.021 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.538 ' N ' ' O ' ' C' ' 1' ' ' LYS . 78.2 mttt 56.63 154.01 0.07 OUTLIER Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.729 -0.607 . . . . 7.1500000000000004 109.768 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -58.19 -161.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 121.168 1.246 . . . . 4.3499999999999996 110.005 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -79.37 148.05 32.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.372 -0.83 . . . . 4.6299999999999999 109.48 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -79.73 159.92 26.43 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.415 -0.803 . . . . 2.8500000000000001 109.535 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.58 153.83 52.3 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.355 -1.498 . . . . 1.1200000000000001 109.355 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -59.98 140.13 56.96 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.098 -1.236 . . . . 2.1099999999999999 109.956 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -102.91 141.2 36.11 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.676 -0.64 . . . . 0.64000000000000001 109.47 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -131.04 138.58 49.68 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.447 -0.783 . . . . 0.48999999999999999 109.656 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 44.5 p -88.39 155.97 19.4 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.307 -0.871 . . . . 0.46999999999999997 109.108 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -147.68 129.98 15.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.181 -0.949 . . . . 0.41999999999999998 109.227 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.81 129.05 34.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 1.8100000000000001 109.004 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.7 119.99 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.519 -0.738 . . . . 0.41999999999999998 109.335 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -77.46 149.95 35.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.097 -1.002 . . . . 2.3500000000000001 109.903 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.27 125.99 0.5 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.515 -1.034 . . . . 0.40999999999999998 110.515 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.13 -40.0 86.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.449 -1.03 . . . . 2.5899999999999999 109.302 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.05 -43.1 95.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.086 -1.009 . . . . 2.54 108.919 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.8 -40.97 97.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.291 -0.881 . . . . 3.3900000000000001 108.84 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.01 -50.01 75.4 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.37 -0.831 . . . . 0.46999999999999997 109.487 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.1 -40.42 89.58 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.17 -1.048 . . . . 1.6599999999999999 108.17 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 62.5 ttp -61.46 -49.98 74.63 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.694 -0.629 . . . . 0.60999999999999999 109.445 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -61.72 -40.12 93.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.476 -0.765 . . . . 0.33000000000000002 109.671 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -59.31 -41.11 88.25 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.931 -1.105 . . . . 3.2799999999999998 109.053 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.06 -48.81 80.17 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 1.78 108.504 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.64 -48.41 80.97 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.38 108.605 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.06 -48.83 80.07 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.391 -0.818 . . . . 1.2 108.852 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.02 -41.29 91.86 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.379 -0.825 . . . . 2.1200000000000001 109.057 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.679 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.96 -49.53 77.33 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.283 -0.885 . . . . 0.26000000000000001 109.363 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.37 -42.66 99.06 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.089 -1.007 . . . . 0.40000000000000002 109.306 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.83 -40.24 92.06 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.208 -0.933 . . . . 2.0899999999999999 109.236 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.623 HD11 HE22 ' D' ' 36' ' ' GLN . 63.7 tp -60.01 -49.66 76.78 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.497 -0.927 . . . . 0.75 108.497 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.677 ' HZ1' ' HB3' ' D' ' 28' ' ' GLU . 34.8 ttmt -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.474 -0.766 . . . . 2.1899999999999999 109.084 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -59.96 -39.99 87.51 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.357 -0.839 . . . . 1.3400000000000001 109.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.98 93.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.294 -0.878 . . . . 0.71999999999999997 109.925 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.616 HE22 HD11 ' D' ' 32' ' ' LEU . 78.2 mt-30 -80.64 -10.16 59.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.091 -1.005 . . . . 1.8 109.633 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' C' ' 39' ' ' LYS . . . -69.98 -35.48 74.46 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.154 -0.966 . . . . 1.3899999999999999 109.553 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.21 46.97 0.25 Allowed Glycine 0 N--CA 1.491 2.365 0 N-CA-C 110.104 -1.198 . . . . 1.6599999999999999 110.104 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' C' ' 37' ' ' ALA . 87.1 tttt -83.99 135.91 34.26 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.057 -1.26 . . . . 4.4500000000000002 109.022 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -56.0 150.63 28.56 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 121.137 -0.977 . . . . 6.1900000000000004 108.834 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -53.95 169.38 0.63 Allowed 'Trans proline' 0 C--N 1.322 -0.855 0 C-N-CA 121.031 1.154 . . . . 5.5800000000000001 109.988 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 117.959 -1.467 . . . . 6.9000000000000004 109.476 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' D' ' 3' ' ' LYS . 85.8 tttt . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.296 -0.631 . . . . 7.3600000000000003 109.296 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' D' ' 3' ' ' LYS . 44.7 tttp 63.3 -61.85 0.14 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.912 -0.493 . . . . 7.1500000000000004 110.121 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' D' ' 1' ' ' LYS . 76.9 mttt 56.95 154.0 0.07 OUTLIER Pre-proline 0 N--CA 1.498 1.932 0 O-C-N 121.786 -0.571 . . . . 6.5 109.724 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -58.33 -162.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 121.102 1.202 . . . . 4.5 109.847 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 88.6 mt -78.78 147.88 33.15 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.408 -0.808 . . . . 4.3200000000000003 109.428 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -79.95 160.82 25.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.392 -0.817 . . . . 2.46 109.315 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.46 154.03 52.93 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.341 -1.503 . . . . 0.96999999999999997 109.341 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.91 139.97 57.01 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.284 -1.127 . . . . 1.6699999999999999 109.875 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -102.98 140.81 36.77 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.582 -0.699 . . . . 0.60999999999999999 109.353 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -130.22 139.6 50.79 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.515 -0.741 . . . . 0.56000000000000005 109.483 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 57.4 p -88.96 155.91 19.21 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.42999999999999999 108.942 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.2 tp -147.64 129.8 15.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.11 -0.994 . . . . 0.34999999999999998 109.073 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.58 128.71 34.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.216 -0.928 . . . . 1.3700000000000001 108.995 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.73 120.0 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.406 -0.809 . . . . 0.47999999999999998 109.28 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -77.16 149.87 35.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.209 -0.932 . . . . 2.0800000000000001 110.035 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.99 125.21 0.43 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 110.469 -1.052 . . . . 0.40000000000000002 110.469 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -66.33 -40.04 89.62 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.435 -1.038 . . . . 2.6400000000000001 109.577 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.03 -42.18 93.83 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.053 -1.029 . . . . 2.2200000000000002 108.928 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.59 -40.87 98.3 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.676 -0.861 . . . . 2.7400000000000002 108.676 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -59.96 -50.08 75.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.599 -0.688 . . . . 0.42999999999999999 109.597 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.29 88.57 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.02 -1.104 . . . . 1.6899999999999999 108.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 60.5 ttp -61.16 -49.95 75.17 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.41 0.624 . . . . 0.42999999999999999 109.622 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -62.05 -40.33 95.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.453 -0.779 . . . . 0.27000000000000002 109.565 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . 0.402 ' HG3' ' NH1' ' D' ' 24' ' ' ARG . 29.3 ttm-85 -59.37 -41.12 88.56 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.096 -1.002 . . . . 2.4500000000000002 109.031 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -59.96 -48.79 80.25 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.386 -0.968 . . . . 1.75 108.386 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.95 -48.5 80.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.911 . . . . 0.31 108.788 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.97 -48.47 81.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.46 -0.775 . . . . 1.22 108.926 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . 0.677 ' HB3' ' HZ1' ' C' ' 33' ' ' LYS . 88.4 tt0 -59.98 -41.46 92.06 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.393 -0.817 . . . . 1.73 109.155 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.679 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.0 -50.01 75.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.347 -0.846 . . . . 0.28000000000000003 109.299 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.73 -42.66 97.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.326 -0.859 . . . . 0.31 109.329 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.03 -40.15 92.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.139 -0.976 . . . . 1.9099999999999999 109.032 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.616 HD11 HE22 ' C' ' 36' ' ' GLN . 64.3 tp -59.92 -49.38 77.9 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.599 -0.889 . . . . 0.42999999999999999 108.599 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.01 -40.03 87.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.466 -0.771 . . . . 1.5700000000000001 109.179 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.05 -39.98 87.87 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.411 -0.805 . . . . 1.4399999999999999 109.421 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.0 93.86 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.805 . . . . 0.64000000000000001 109.78 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.623 HE22 HD11 ' C' ' 32' ' ' LEU . 78.4 mt-30 -80.95 -10.25 59.74 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.041 -1.037 . . . . 1.21 109.667 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' D' ' 39' ' ' LYS . . . -69.8 -36.18 75.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.213 -0.93 . . . . 1.22 109.44 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.25 46.64 0.18 Allowed Glycine 0 N--CA 1.491 2.326 0 N-CA-C 110.21 -1.156 . . . . 1.5 110.21 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.505 ' N ' ' O ' ' D' ' 37' ' ' ALA . 87.6 tttt -83.28 139.53 33.02 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.085 -1.244 . . . . 4.1799999999999997 109.161 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -59.99 149.99 71.59 Favored Pre-proline 0 N--CA 1.488 1.468 0 O-C-N 121.174 -0.954 . . . . 5.6699999999999999 108.454 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -53.27 168.44 0.6 Allowed 'Trans proline' 0 C--N 1.321 -0.916 0 C-N-CA 120.982 1.121 . . . . 5.6500000000000004 109.87 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 CA-C-O 118.023 -1.431 . . . . 7.2699999999999996 109.635 179.865 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.964 -0.754 . . . . 7.3300000000000001 108.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 98.1 mttt 50.06 52.95 13.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.132 -0.98 . . . . 7.21 109.461 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 2' ' ' LYS . 35.9 mttm 88.03 69.96 0.05 OUTLIER Pre-proline 0 N--CA 1.51 2.554 0 C-N-CA 122.615 0.366 . . . . 6.4699999999999998 110.219 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -61.39 -157.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 121.65 1.566 . . . . 4.5300000000000002 109.878 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.12 106.49 13.15 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.135 -0.978 . . . . 4.3499999999999996 109.346 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -86.16 -104.96 0.06 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.214 -0.929 . . . . 2.48 109.945 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.97 148.93 47.01 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 110.049 -1.221 . . . . 0.97999999999999998 110.049 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 52.5 mp0 -61.76 140.05 58.26 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.281 -1.129 . . . . 1.7 109.116 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -96.34 141.62 29.45 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.362 -0.836 . . . . 0.60999999999999999 109.773 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.69 142.63 48.1 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.48 -0.762 . . . . 0.57999999999999996 109.636 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.3 p -90.13 154.87 19.45 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.247 -0.908 . . . . 0.41999999999999998 109.029 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -148.5 132.52 17.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.084 -1.01 . . . . 0.35999999999999999 109.657 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.18 127.52 34.3 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.249 -0.907 . . . . 1.3700000000000001 108.976 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.2 mt -120.38 120.06 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.333 -0.855 . . . . 0.46999999999999997 109.803 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -77.32 148.99 35.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.349 -0.844 . . . . 2.1000000000000001 110.028 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.9 115.97 0.35 Allowed Glycine 0 N--CA 1.495 2.583 0 N-CA-C 110.234 -1.147 . . . . 0.41999999999999998 110.234 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -60.95 -41.51 96.45 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -1.085 . . . . 2.6800000000000002 109.367 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.003 -1.061 . . . . 2.2200000000000002 108.832 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 43.7 ttm180 -62.47 -40.06 95.42 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.589 -0.893 . . . . 2.77 108.589 178.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.04 -49.76 76.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.28 -0.888 . . . . 0.42999999999999999 109.075 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -59.83 -40.49 88.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.19 -0.944 . . . . 1.6599999999999999 108.532 179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 24.5 ttp -63.27 -49.98 71.92 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.434 -0.791 . . . . 0.44 109.074 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.19 -40.34 97.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.347 -0.846 . . . . 0.28999999999999998 109.193 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -59.8 -44.13 94.11 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.106 -0.996 . . . . 2.4399999999999999 108.833 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -47.03 87.51 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.311 -0.868 . . . . 1.74 108.993 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.32 -43.6 97.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.197 -0.939 . . . . 0.29999999999999999 109.119 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.07 -50.01 75.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.348 -0.845 . . . . 1.22 109.497 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.5 -39.94 95.12 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.51 -0.744 . . . . 1.72 109.624 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.675 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -58.73 -49.06 79.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.362 -0.836 . . . . 0.27000000000000002 109.618 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.57 -43.48 97.24 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.163 -0.961 . . . . 0.28999999999999998 109.112 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.42 -40.0 89.47 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.315 -0.866 . . . . 1.9099999999999999 109.269 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 HD22 ' B' ' 32' ' ' LEU . 4.0 tt -63.02 -52.95 60.93 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.387 -0.821 . . . . 0.40999999999999998 109.103 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.03 -42.95 95.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.08 -1.013 . . . . 1.5600000000000001 109.423 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.484 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 96.1 m-20 -60.1 -39.93 87.9 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.345 -0.847 . . . . 1.4299999999999999 109.2 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.42 94.93 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.235 -0.916 . . . . 0.66000000000000003 109.349 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.67 -11.75 58.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.137 -0.977 . . . . 1.1799999999999999 109.277 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.64 76.04 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.259 -0.901 . . . . 1.23 109.32 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.27 54.3 3.15 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.81 -1.316 . . . . 1.54 109.81 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -87.53 -0.61 57.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.254 -1.144 . . . . 4.1799999999999997 109.514 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.38 150.87 31.1 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.233 -0.917 . . . . 5.71 108.934 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.99 138.86 61.86 Favored 'Trans proline' 0 C--N 1.322 -0.85 0 C-N-CA 121.106 1.204 . . . . 5.6100000000000003 110.036 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 CA-C-O 117.888 -1.507 . . . . 7.2400000000000002 109.476 179.864 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.101 -0.703 . . . . 7.3399999999999999 109.101 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 97.4 mttt 49.95 52.7 14.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.072 -1.018 . . . . 7.1699999999999999 109.65 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' B' ' 2' ' ' LYS . 36.9 mttm 88.26 70.05 0.05 OUTLIER Pre-proline 0 N--CA 1.509 2.481 0 C-N-CA 122.669 0.388 . . . . 6.4400000000000004 110.02 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.63 -158.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 121.53 1.487 . . . . 4.54 109.794 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 76.6 mt -80.45 105.82 12.0 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.219 -0.925 . . . . 4.3200000000000003 109.364 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -85.64 -102.5 0.06 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.212 -0.93 . . . . 2.4700000000000002 110.154 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.96 147.41 39.71 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 110.026 -1.23 . . . . 0.94999999999999996 110.026 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' B' ' 8' ' ' GLU . 54.1 mp0 -60.05 140.02 57.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.304 -1.115 . . . . 1.6100000000000001 109.155 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -96.8 141.56 29.86 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.293 -0.879 . . . . 0.56999999999999995 109.885 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -133.51 142.82 48.4 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.338 -0.852 . . . . 0.53000000000000003 109.481 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 75.8 p -89.38 156.07 18.93 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.339 -0.851 . . . . 0.38 108.967 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 59.9 tp -149.66 131.91 15.5 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.004 -1.06 . . . . 0.35999999999999999 109.625 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -84.75 127.25 34.02 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.262 -0.898 . . . . 1.3600000000000001 108.93 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.02 120.07 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 121.35 -0.844 . . . . 0.48999999999999999 109.849 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -77.46 148.93 35.14 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.28 -0.888 . . . . 2.1000000000000001 110.15 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 116.13 0.32 Allowed Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.344 -1.103 . . . . 0.44 110.344 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -60.64 -41.32 94.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.393 -1.063 . . . . 2.7200000000000002 109.693 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.04 -40.38 89.2 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.033 -1.042 . . . . 2.21 108.799 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.538 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 43.8 ttm180 -62.66 -39.93 95.47 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.631 -0.877 . . . . 2.79 108.631 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.99 -49.67 76.76 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.894 -0.78 . . . . 0.45000000000000001 108.894 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -41.53 90.99 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.281 -1.007 . . . . 1.6799999999999999 108.281 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 26.7 ttp -62.32 -50.3 72.16 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.363 -0.836 . . . . 0.42999999999999999 109.16 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.97 -41.04 99.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.509 -0.744 . . . . 0.28000000000000003 109.116 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.32 -44.04 92.64 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.177 -0.952 . . . . 2.52 108.968 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.95 -47.74 84.58 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.374 -0.829 . . . . 1.75 108.825 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.87 -43.21 99.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.31 109.083 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -59.99 -50.03 75.35 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.28 -0.888 . . . . 1.21 109.243 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.73 -39.95 95.67 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.585 -0.697 . . . . 1.6899999999999999 109.584 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.675 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.02 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.256 -0.903 . . . . 0.27000000000000002 109.562 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.69 -43.62 97.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.973 -1.079 . . . . 0.29999999999999999 109.152 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.43 -39.94 89.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.302 -0.874 . . . . 1.9299999999999999 109.468 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.624 HD22 HD22 ' A' ' 32' ' ' LEU . 4.0 tt -62.56 -53.25 57.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.404 -0.81 . . . . 0.40000000000000002 109.144 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.13 -42.77 95.51 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 1.5900000000000001 109.391 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.532 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 95.0 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 1.4299999999999999 109.232 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.52 96.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.338 -0.852 . . . . 0.65000000000000002 109.318 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -81.65 -12.81 58.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.323 -0.861 . . . . 1.1899999999999999 109.471 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.96 79.04 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.228 -0.92 . . . . 1.22 109.377 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.56 55.97 3.35 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.716 -1.354 . . . . 1.53 109.716 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -88.99 -0.01 57.05 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.352 -1.087 . . . . 4.21 109.213 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -56.99 150.45 39.21 Favored Pre-proline 0 N--CA 1.489 1.496 0 O-C-N 121.313 -0.867 . . . . 5.6799999999999997 108.705 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -52.62 139.78 56.82 Favored 'Trans proline' 0 C--N 1.322 -0.859 0 C-N-CA 120.984 1.123 . . . . 5.5700000000000003 109.92 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 CA-C-O 118.066 -1.408 . . . . 7.2000000000000002 109.582 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' C' ' 3' ' ' LYS . 71.2 mmtt . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.215 -0.661 . . . . 8.9600000000000009 109.215 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.558 ' O ' ' CG ' ' C' ' 3' ' ' LYS . 96.3 mttt 63.62 -38.87 0.19 Allowed 'General case' 0 C--O 1.188 -2.135 0 CA-C-N 116.394 -0.366 . . . . 8.1500000000000004 110.953 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.558 ' CG ' ' O ' ' C' ' 2' ' ' LYS . 37.5 mttm -174.56 74.06 0.32 Allowed Pre-proline 0 N--CA 1.509 2.509 0 N-CA-C 105.266 -2.124 . . . . 7.1500000000000004 105.266 177.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -58.24 -162.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.028 0 C-N-CA 121.197 1.265 . . . . 4.3499999999999996 111.256 -176.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.31 105.61 11.7 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.486 -0.759 . . . . 4.6299999999999999 109.133 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -85.05 -103.89 0.05 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 2.8500000000000001 109.877 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.4 148.29 43.66 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.964 -1.254 . . . . 1.1200000000000001 109.964 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . 0.458 ' OE1' ' N ' ' C' ' 8' ' ' GLU . 55.3 mp0 -61.06 140.0 57.95 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.35 -1.088 . . . . 2.1099999999999999 109.132 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -96.55 140.55 31.02 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.299 -0.876 . . . . 0.64000000000000001 109.978 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -132.64 142.06 48.92 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.516 -0.74 . . . . 0.48999999999999999 109.617 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 63.7 p -89.19 153.95 20.53 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.238 -0.914 . . . . 0.46999999999999997 108.965 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 60.0 tp -147.77 132.54 17.96 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.953 -1.092 . . . . 0.41999999999999998 109.598 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -85.06 127.69 34.33 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.23 -0.919 . . . . 1.8100000000000001 108.984 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.55 119.96 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.355 -0.84 . . . . 0.41999999999999998 109.771 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -77.62 149.5 34.75 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.26 -0.9 . . . . 2.3500000000000001 110.096 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 116.08 0.32 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 110.226 -1.15 . . . . 0.40999999999999998 110.226 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -61.24 -41.31 96.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -1.097 . . . . 2.5899999999999999 109.427 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -59.91 -40.22 88.07 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.068 -1.02 . . . . 2.54 108.757 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.484 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 44.0 ttm180 -62.7 -39.96 95.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.232 -0.918 . . . . 3.3900000000000001 108.734 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -60.01 -49.66 76.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.46999999999999997 109.114 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.9 -41.07 90.83 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.296 -1.001 . . . . 1.6599999999999999 108.296 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 25.9 ttp -62.3 -50.06 73.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.359 -0.838 . . . . 0.60999999999999999 109.122 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -63.26 -41.18 99.01 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.407 -0.808 . . . . 0.33000000000000002 109.091 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -59.32 -43.84 92.64 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.224 -0.922 . . . . 3.2799999999999998 108.904 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.96 -47.81 84.3 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.303 -0.873 . . . . 1.78 108.826 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.68 -43.55 98.51 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.305 -0.872 . . . . 0.38 109.12 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -60.13 -49.91 75.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.332 -0.855 . . . . 1.2 109.457 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.49 -40.04 95.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.553 -0.717 . . . . 2.1200000000000001 109.48 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.707 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -58.42 -49.57 76.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.337 -0.852 . . . . 0.26000000000000001 109.718 -179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.19 -43.83 95.59 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.011 -1.056 . . . . 0.40000000000000002 108.936 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.29 -40.43 90.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.285 -0.885 . . . . 2.0899999999999999 109.442 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.609 HD22 HD22 ' D' ' 32' ' ' LEU . 4.0 tt -62.52 -53.07 60.24 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.489 -0.757 . . . . 0.75 108.999 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.01 -42.94 95.39 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.145 -0.972 . . . . 2.1899999999999999 109.402 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.502 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 95.3 m-20 -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.261 -0.899 . . . . 1.3400000000000001 109.405 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -41.02 96.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.71999999999999997 109.266 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.82 -12.53 58.47 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 1.8 109.461 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.86 -39.97 76.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 1.3899999999999999 109.406 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.99 55.28 3.09 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.621 -1.391 . . . . 1.6599999999999999 109.621 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -88.36 -0.22 56.92 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.086 -1.243 . . . . 4.4500000000000002 109.415 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -56.83 150.86 35.51 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.312 -0.868 . . . . 6.1900000000000004 108.796 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -52.75 139.19 59.19 Favored 'Trans proline' 0 C--N 1.322 -0.844 0 C-N-CA 120.95 1.1 . . . . 5.5800000000000001 110.001 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.454 -1.458 . . . . 6.9000000000000004 109.454 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.104 -0.702 . . . . 7.3600000000000003 109.104 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' D' ' 3' ' ' LYS . 97.6 mttt 50.02 52.63 14.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.993 -1.067 . . . . 7.1500000000000004 109.478 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' D' ' 2' ' ' LYS . 36.2 mttm 87.9 70.31 0.05 OUTLIER Pre-proline 0 N--CA 1.508 2.474 0 C-N-CA 122.61 0.364 . . . . 6.5 110.076 -179.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -61.59 -157.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.321 -0.895 0 C-N-CA 121.667 1.578 . . . . 4.5 109.862 179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.42 106.32 13.29 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.156 -0.965 . . . . 4.3200000000000003 109.329 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -85.95 -103.42 0.06 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.156 -0.965 . . . . 2.46 109.92 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.6 148.54 43.73 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.068 -1.213 . . . . 0.96999999999999997 110.068 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' D' ' 8' ' ' GLU . 53.7 mp0 -61.32 139.96 58.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -1.119 . . . . 1.6699999999999999 109.15 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -96.6 141.62 29.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.327 -0.858 . . . . 0.60999999999999999 109.974 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -133.61 142.52 48.14 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.509 -0.745 . . . . 0.56000000000000005 109.61 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 64.9 p -89.72 154.29 20.04 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.29 -0.881 . . . . 0.42999999999999999 108.96 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 tp -148.01 132.37 17.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.05 . . . . 0.34999999999999998 109.685 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -84.93 127.81 34.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.288 -0.882 . . . . 1.3700000000000001 108.921 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.61 120.1 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.362 -0.837 . . . . 0.47999999999999998 109.907 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -77.69 149.44 34.63 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.232 -0.918 . . . . 2.0800000000000001 110.139 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 116.2 0.32 Allowed Glycine 0 N--CA 1.494 2.56 0 N-CA-C 110.262 -1.135 . . . . 0.40000000000000002 110.262 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -61.08 -41.15 96.12 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.322 -1.105 . . . . 2.6400000000000001 109.608 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.06 -40.22 88.73 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.935 -1.103 . . . . 2.2200000000000002 108.845 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.532 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 43.9 ttm180 -62.65 -39.97 95.55 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.676 -0.861 . . . . 2.7400000000000002 108.676 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -60.09 -49.7 76.6 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.43 -0.793 . . . . 0.42999999999999999 109.088 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.0 -40.63 89.85 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 108.371 -0.974 . . . . 1.6899999999999999 108.371 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.557 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 25.5 ttp -62.98 -49.96 72.63 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.414 -0.804 . . . . 0.42999999999999999 108.966 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.25 -40.87 98.64 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.43 -0.794 . . . . 0.27000000000000002 109.101 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -59.3 -44.24 92.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.069 -1.019 . . . . 2.4500000000000002 108.989 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -47.29 86.45 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.284 -0.885 . . . . 1.75 108.951 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.29 -43.32 98.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.211 -0.93 . . . . 0.31 109.016 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -60.06 -50.05 75.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.317 -0.865 . . . . 1.22 109.32 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.0 95.46 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.54 -0.725 . . . . 1.73 109.631 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.707 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -58.79 -48.88 79.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.312 -0.867 . . . . 0.28000000000000003 109.591 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.85 -42.61 98.18 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.092 -1.005 . . . . 0.31 109.067 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.36 -40.08 92.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.292 -0.88 . . . . 1.9099999999999999 109.191 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.609 HD22 HD22 ' C' ' 32' ' ' LEU . 4.0 tt -62.74 -52.37 63.52 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.461 -0.774 . . . . 0.42999999999999999 109.127 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.49 -43.13 97.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.194 -0.941 . . . . 1.5700000000000001 109.445 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.538 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 96.1 m-20 -60.02 -40.11 88.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 1.4399999999999999 109.478 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -41.18 95.37 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.319 -0.863 . . . . 0.64000000000000001 109.35 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -81.97 -12.6 58.27 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.265 -0.897 . . . . 1.21 109.382 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.96 76.94 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.34 -0.85 . . . . 1.22 109.249 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.16 55.2 3.16 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.79 -1.324 . . . . 1.5 109.79 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -88.47 1.81 54.07 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.224 -1.163 . . . . 4.1799999999999997 109.397 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -59.42 150.0 66.85 Favored Pre-proline 0 N--CA 1.49 1.528 0 N-CA-C 108.649 -0.871 . . . . 5.6699999999999999 108.649 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -51.78 139.27 49.71 Favored 'Trans proline' 0 C--N 1.321 -0.912 0 C-N-CA 121.039 1.159 . . . . 5.6500000000000004 109.974 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 118.105 -1.386 . . . . 7.2699999999999996 109.768 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.5 -0.556 . . . . 7.3300000000000001 109.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.5 tptt 58.47 42.61 20.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.442 -0.786 . . . . 7.21 109.634 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 46.61 69.95 2.35 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.078 -1.014 . . . . 6.4699999999999998 110.079 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -61.66 159.15 33.77 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 C-N-CA 121.47 1.447 . . . . 4.5300000000000002 109.406 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.34 112.06 18.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.1 -1.0 . . . . 4.3499999999999996 109.728 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -80.8 171.9 14.43 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.572 -0.705 . . . . 2.48 109.772 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.77 151.42 51.87 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.306 -1.518 . . . . 0.97999999999999998 109.306 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.06 139.93 57.15 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.453 -1.027 . . . . 1.7 110.246 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -107.93 146.95 31.7 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 108.88 -0.785 . . . . 0.60999999999999999 108.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.11 137.2 42.58 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.209 -0.932 . . . . 0.57999999999999996 109.455 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.6 p -87.85 153.93 20.94 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.869 -0.789 . . . . 0.41999999999999998 108.869 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.1 tp -145.66 133.09 20.72 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.028 -1.045 . . . . 0.35999999999999999 109.53 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -83.63 127.32 33.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.352 -0.843 . . . . 1.3700000000000001 108.985 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.19 119.92 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 121.417 -0.802 . . . . 0.46999999999999997 109.524 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -77.51 143.33 38.53 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.382 -0.824 . . . . 2.1000000000000001 110.232 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.28 124.6 1.38 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.204 -1.159 . . . . 0.41999999999999998 110.204 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -67.48 -40.1 85.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -1.125 . . . . 2.6800000000000002 109.448 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.15 93.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.309 -0.869 . . . . 2.2200000000000002 108.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.08 -39.91 94.05 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.385 -0.822 . . . . 2.77 109.112 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -59.88 -49.99 75.53 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.47 -0.769 . . . . 0.42999999999999999 109.286 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.122 -1.066 . . . . 1.6599999999999999 108.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 53.4 ttp -61.25 -50.72 71.92 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.48 -0.763 . . . . 0.44 109.55 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.7 -40.18 94.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.435 -0.791 . . . . 0.28999999999999998 109.135 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -59.37 -45.3 91.82 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.336 -0.852 . . . . 2.4399999999999999 108.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.04 -48.5 81.47 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 108.727 -0.842 . . . . 1.74 108.727 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.87 -45.11 95.19 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.201 -0.937 . . . . 0.29999999999999999 108.767 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -60.05 -49.8 76.21 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.329 -0.857 . . . . 1.22 109.065 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.37 -40.07 89.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.385 -0.822 . . . . 1.72 109.505 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.6 -49.32 78.2 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.214 -0.928 . . . . 0.27000000000000002 109.473 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.77 -41.46 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.133 -0.98 . . . . 0.28999999999999998 109.285 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.31 -43.35 96.42 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -0.992 . . . . 1.9099999999999999 108.886 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.2 tp -60.03 -47.14 87.06 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.203 -0.936 . . . . 0.40999999999999998 108.863 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -60.24 -39.84 88.12 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.54 -0.725 . . . . 1.5600000000000001 109.134 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -59.96 -39.96 87.39 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.472 -0.768 . . . . 1.4299999999999999 109.647 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -40.38 93.68 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.971 . . . . 0.66000000000000003 109.659 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.63 -10.25 59.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.038 -1.039 . . . . 1.1799999999999999 109.553 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.29 -9.77 58.91 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.258 -0.901 . . . . 1.23 109.15 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.11 -78.91 0.77 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.803 -1.319 . . . . 1.54 109.803 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -85.39 143.46 28.6 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.209 -1.171 . . . . 4.1799999999999997 109.737 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -59.79 149.42 72.47 Favored Pre-proline 0 N--CA 1.49 1.569 0 N-CA-C 108.682 -0.858 . . . . 5.71 108.682 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -54.81 147.77 49.23 Favored 'Trans proline' 0 C--N 1.323 -0.788 0 C-N-CA 120.991 1.127 . . . . 5.6100000000000003 109.951 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 CA-C-O 118.005 -1.442 . . . . 7.2400000000000002 109.585 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.237 -0.653 . . . . 7.3399999999999999 109.237 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 58.6 42.95 19.79 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.506 -0.746 . . . . 7.1699999999999999 109.502 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 77.0 mttt 46.11 70.31 2.11 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.111 -0.993 . . . . 6.4400000000000004 110.142 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -62.02 158.78 37.17 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 121.391 1.394 . . . . 4.54 109.391 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 83.8 mt -80.93 111.77 17.7 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.143 -0.973 . . . . 4.3200000000000003 109.782 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -81.1 169.95 16.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 2.4700000000000002 109.945 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.33 150.65 46.78 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.521 -1.432 . . . . 0.94999999999999996 109.521 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.19 140.02 57.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.275 -1.132 . . . . 1.6100000000000001 110.3 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.49 146.74 31.4 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.56999999999999995 108.954 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -134.75 137.08 43.13 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.206 -0.934 . . . . 0.53000000000000003 109.637 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.1 p -88.24 153.63 21.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.376 -0.827 . . . . 0.38 108.822 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -145.29 134.19 22.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.306 -0.871 . . . . 0.35999999999999999 109.485 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -84.69 127.06 33.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.269 -0.895 . . . . 1.3600000000000001 108.926 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -119.94 119.72 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 O-C-N 121.372 -0.83 . . . . 0.48999999999999999 109.425 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -76.81 144.03 39.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.264 -0.897 . . . . 2.1000000000000001 109.917 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.58 1.18 Allowed Glycine 0 N--CA 1.494 2.514 0 N-CA-C 110.459 -1.056 . . . . 0.44 110.459 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -67.57 -40.05 84.88 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.358 -1.084 . . . . 2.7200000000000002 109.52 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.02 -43.12 95.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.13 -0.981 . . . . 2.21 108.647 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.11 -40.03 92.22 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.462 -0.774 . . . . 2.79 109.102 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.97 -49.85 76.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.464 -0.772 . . . . 0.45000000000000001 109.447 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.61 -41.04 84.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.091 -1.006 . . . . 1.6799999999999999 108.419 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 52.3 ttp -62.28 -49.97 73.57 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.605 -0.685 . . . . 0.42999999999999999 109.417 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.22 -40.08 94.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.512 -0.743 . . . . 0.28000000000000003 109.199 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.45 -44.88 92.86 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.367 -0.833 . . . . 2.52 108.862 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -48.96 79.53 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.265 -0.897 . . . . 1.75 108.724 179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.32 -45.34 94.86 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -0.899 . . . . 0.31 108.683 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -60.08 -49.71 76.58 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.278 -0.888 . . . . 1.21 109.096 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -60.65 -40.03 90.53 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.423 -0.798 . . . . 1.6899999999999999 109.483 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.639 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.89 -49.33 78.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.27000000000000002 109.352 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.19 -41.91 98.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.18 -0.95 . . . . 0.29999999999999999 109.142 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.88 -43.27 94.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.13 -0.981 . . . . 1.9299999999999999 108.869 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.14 -46.9 88.1 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.185 -0.947 . . . . 0.40000000000000002 108.912 178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -60.13 -40.01 88.27 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.422 -0.799 . . . . 1.5900000000000001 109.088 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.89 -39.87 86.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.346 -0.846 . . . . 1.4299999999999999 109.677 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.25 92.99 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.084 -1.01 . . . . 0.65000000000000002 109.654 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -80.75 -10.32 59.74 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.106 -0.996 . . . . 1.1899999999999999 109.306 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.81 -9.4 58.25 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.143 -0.973 . . . . 1.22 109.129 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.15 -79.53 0.75 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.899 -1.28 . . . . 1.53 109.899 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -84.95 143.31 29.06 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.276 -1.132 . . . . 4.21 109.821 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.63 149.63 70.29 Favored Pre-proline 0 N--CA 1.489 1.502 0 N-CA-C 108.766 -0.827 . . . . 5.6799999999999997 108.766 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -55.1 147.73 52.27 Favored 'Trans proline' 0 C--N 1.323 -0.787 0 C-N-CA 120.902 1.068 . . . . 5.5700000000000003 110.131 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.356 -1.497 . . . . 7.2000000000000002 109.356 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.423 0.63 . . . . 8.9600000000000009 109.727 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 37.3 tptt 57.76 43.03 22.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.288 -0.883 . . . . 8.1500000000000004 109.56 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 76.3 mttt 46.7 69.99 2.33 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.083 -1.011 . . . . 7.1500000000000004 110.05 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -61.49 158.75 34.88 Favored 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.438 1.426 . . . . 4.3499999999999996 109.373 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -80.82 112.52 18.28 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.147 -0.971 . . . . 4.6299999999999999 109.439 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -81.26 172.34 13.73 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.51 -0.744 . . . . 2.8500000000000001 109.698 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.16 151.39 51.57 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.356 -1.498 . . . . 1.1200000000000001 109.356 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.15 140.14 57.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.379 -1.071 . . . . 2.1099999999999999 110.176 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -108.14 146.52 32.57 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 109.006 -0.739 . . . . 0.64000000000000001 109.006 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -134.35 137.15 43.92 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.2 -0.938 . . . . 0.48999999999999999 109.642 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -87.94 153.36 21.36 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.826 -0.805 . . . . 0.46999999999999997 108.826 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 65.6 tp -145.17 134.3 22.75 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.049 -1.032 . . . . 0.41999999999999998 109.588 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -84.51 126.9 33.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.348 -0.845 . . . . 1.8100000000000001 109.072 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 119.96 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.438 -0.789 . . . . 0.41999999999999998 109.465 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -77.55 143.49 38.34 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 2.3500000000000001 110.172 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 124.68 1.43 Allowed Glycine 0 N--CA 1.494 2.537 0 N-CA-C 110.158 -1.177 . . . . 0.40999999999999998 110.158 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -67.73 -40.07 84.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.371 -1.076 . . . . 2.5899999999999999 109.391 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.98 -42.49 94.28 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.104 -0.997 . . . . 2.54 109.025 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.74 -39.98 93.5 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.404 -0.81 . . . . 3.3900000000000001 108.985 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.84 -49.57 77.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.42 -0.8 . . . . 0.46999999999999997 109.39 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.9 -41.53 87.44 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.1 -1.0 . . . . 1.6599999999999999 108.367 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . 0.471 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 51.7 ttp -61.58 -50.13 73.84 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.595 -0.691 . . . . 0.60999999999999999 109.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.3 -40.23 95.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.396 -0.815 . . . . 0.33000000000000002 108.843 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.24 -45.17 91.86 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.213 -0.929 . . . . 3.2799999999999998 108.878 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -48.7 80.64 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.272 -0.892 . . . . 1.78 108.636 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.83 -44.78 96.16 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.238 -0.914 . . . . 0.38 108.762 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.28 -49.71 76.51 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.256 -0.903 . . . . 1.2 108.927 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.69 -40.04 90.73 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.424 -0.798 . . . . 2.1200000000000001 109.605 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.61 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.76 -49.98 75.62 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.309 -0.869 . . . . 0.26000000000000001 109.179 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -61.07 -41.63 96.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.088 -1.008 . . . . 0.40000000000000002 109.36 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.04 -42.92 95.46 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.029 -1.044 . . . . 2.0899999999999999 109.034 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.67 -46.94 88.45 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.75 108.808 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.14 -39.94 88.07 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.388 -0.82 . . . . 2.1899999999999999 109.203 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -59.86 -39.99 87.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.415 -0.803 . . . . 1.3400000000000001 109.648 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.05 92.18 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.308 -0.87 . . . . 0.71999999999999997 109.608 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.431 ' NE2' HD21 ' D' ' 32' ' ' LEU . 27.2 mt-30 -80.56 -11.63 59.63 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.207 -0.933 . . . . 1.8 109.724 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.88 -10.3 59.36 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.256 -0.903 . . . . 1.3899999999999999 109.289 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.01 -78.37 0.8 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.916 -1.274 . . . . 1.6599999999999999 109.916 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -85.64 143.06 28.64 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -1.15 . . . . 4.4500000000000002 109.654 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -59.6 149.67 69.88 Favored Pre-proline 0 N--CA 1.488 1.463 0 O-C-N 121.205 -0.934 . . . . 6.1900000000000004 108.561 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -54.76 146.73 53.86 Favored 'Trans proline' 0 C--N 1.324 -0.742 0 C-N-CA 121.024 1.149 . . . . 5.5800000000000001 110.12 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 118.092 -1.393 . . . . 6.9000000000000004 109.873 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.471 -0.566 . . . . 7.3600000000000003 109.471 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 36.0 tptt 58.23 43.1 20.87 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.304 -0.873 . . . . 7.1500000000000004 109.543 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 76.4 mttt 46.31 69.96 2.32 Favored Pre-proline 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 6.5 110.22 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -61.21 159.46 30.54 Favored 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 121.476 1.451 . . . . 4.5 109.086 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.93 111.95 18.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.093 -1.005 . . . . 4.3200000000000003 109.735 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.95 170.78 15.82 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.533 -0.73 . . . . 2.46 109.893 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.65 150.89 49.49 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.336 -1.506 . . . . 0.96999999999999997 109.336 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.11 140.59 56.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -1.122 . . . . 1.6699999999999999 110.121 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -108.34 146.8 32.45 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.825 -0.806 . . . . 0.60999999999999999 108.825 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -134.45 137.65 44.14 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.229 -0.919 . . . . 0.56000000000000005 109.726 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -88.86 152.67 21.61 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.288 -0.883 . . . . 0.42999999999999999 108.731 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.1 tp -144.38 134.18 23.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.192 -0.943 . . . . 0.34999999999999998 109.469 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -84.3 127.28 33.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.356 -0.84 . . . . 1.3700000000000001 108.794 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.13 119.93 61.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.437 -0.789 . . . . 0.47999999999999998 109.404 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -77.72 143.57 37.94 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.366 -0.834 . . . . 2.0800000000000001 110.047 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.86 124.64 1.28 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.11 -1.196 . . . . 0.40000000000000002 110.11 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.47 -40.1 85.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.355 -1.085 . . . . 2.6400000000000001 109.315 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.94 -42.44 94.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.941 . . . . 2.2200000000000002 108.86 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.67 -40.04 93.52 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.369 -0.832 . . . . 2.7400000000000002 109.05 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -59.99 -49.76 76.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.491 -0.756 . . . . 0.42999999999999999 109.21 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -58.53 -41.48 85.62 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.306 -0.998 . . . . 1.6899999999999999 108.306 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.517 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 54.3 ttp -62.05 -49.6 75.32 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.521 -0.737 . . . . 0.42999999999999999 109.347 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.85 -40.1 96.41 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.293 -0.879 . . . . 0.27000000000000002 109.02 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.31 -45.1 92.23 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.269 -0.894 . . . . 2.4500000000000002 108.721 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.04 -48.29 82.31 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.749 -0.834 . . . . 1.75 108.749 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.11 -45.01 95.37 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.258 -0.901 . . . . 0.31 108.869 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.19 -49.75 76.4 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.41 -0.806 . . . . 1.22 109.012 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -60.75 -39.91 90.48 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.407 -0.808 . . . . 1.73 109.455 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.61 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.75 -49.83 76.21 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.251 -0.906 . . . . 0.28000000000000003 109.379 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 92.4 mt -61.25 -41.96 97.8 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.031 -1.043 . . . . 0.31 109.246 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -42.95 95.6 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.099 -1.001 . . . . 1.9099999999999999 108.786 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.431 HD21 ' NE2' ' C' ' 36' ' ' GLN . 58.5 tp -60.06 -47.22 86.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.42999999999999999 108.923 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -60.27 -39.85 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.452 -0.78 . . . . 1.5700000000000001 109.101 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -60.05 -39.8 87.25 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 1.4399999999999999 109.345 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.83 -41.19 95.29 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.095 -1.003 . . . . 0.64000000000000001 109.709 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -79.98 -11.23 59.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.215 -0.928 . . . . 1.21 109.639 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.19 -9.78 58.66 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.279 -0.888 . . . . 1.22 109.428 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.65 -76.9 0.91 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.905 -1.278 . . . . 1.5 109.905 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -87.07 143.07 27.48 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.049 -1.265 . . . . 4.1799999999999997 109.499 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -59.97 149.03 75.48 Favored Pre-proline 0 N--CA 1.492 1.651 0 O-C-N 121.217 -0.927 . . . . 5.6699999999999999 108.936 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -54.34 147.86 44.44 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 121.017 1.145 . . . . 5.6500000000000004 110.106 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.407 -1.477 . . . . 7.2699999999999996 109.407 179.883 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 2' ' ' LYS . 96.0 mttt . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.315 -0.624 . . . . 7.3300000000000001 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 1' ' ' LYS . 67.7 mttm 50.11 -177.99 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.351 -0.843 . . . . 7.21 109.233 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 62.7 mttp 48.71 59.91 16.33 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 6.4699999999999998 110.309 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 1.1 Cg_endo -61.42 153.91 62.68 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 C-N-CA 121.176 1.251 . . . . 4.5300000000000002 109.577 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.9 mt -81.05 126.45 31.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.085 -1.01 . . . . 4.3499999999999996 108.817 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.95 119.34 23.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.141 -0.974 . . . . 2.48 109.543 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.519 ' O ' ' CE2' ' A' ' 9' ' ' TYR . . . -70.94 147.92 43.84 Favored Glycine 0 N--CA 1.488 2.164 0 N-CA-C 109.049 -1.62 . . . . 0.97999999999999998 109.049 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.26 132.5 53.81 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.951 -1.323 . . . . 1.7 109.036 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.519 ' CE2' ' O ' ' A' ' 7' ' ' GLY . 98.0 m-85 -109.1 144.23 37.42 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.384 -0.822 . . . . 0.60999999999999999 109.635 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.47 139.57 44.16 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.318 -0.864 . . . . 0.57999999999999996 109.461 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.56 150.41 23.09 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.277 -0.889 . . . . 0.41999999999999998 108.797 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.0 tp -145.9 131.42 18.76 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.075 -1.016 . . . . 0.35999999999999999 109.789 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.26 129.6 35.02 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.605 -0.887 . . . . 1.3700000000000001 108.605 179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.26 121.2 65.08 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.41 -0.806 . . . . 0.46999999999999997 110.028 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HG2' HH11 ' A' ' 15' ' ' ARG . 40.7 ttt-85 -75.38 142.51 43.09 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.481 -0.762 . . . . 2.1000000000000001 110.423 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.49 119.68 1.37 Allowed Glycine 0 N--CA 1.497 2.731 0 N-CA-C 110.176 -1.17 . . . . 0.41999999999999998 110.176 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' A' ' 17' ' ' ARG . 40.1 ttt-85 -62.5 -42.89 99.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.272 -1.134 . . . . 2.6800000000000002 109.269 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.13 -41.55 92.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.182 -0.949 . . . . 2.2200000000000002 109.068 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -59.94 -39.99 87.43 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.43 -0.794 . . . . 2.77 109.247 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -58.79 -49.81 76.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.347 -0.846 . . . . 0.42999999999999999 109.647 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.62 89.83 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.037 -1.039 . . . . 1.6599999999999999 108.782 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.2 ttp -62.49 -50.0 73.14 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.417 -0.802 . . . . 0.44 109.575 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.23 -39.98 94.63 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.305 -0.872 . . . . 0.28999999999999998 109.32 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -59.93 -42.53 94.15 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.214 -0.929 . . . . 2.4399999999999999 108.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.01 -47.34 86.22 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.883 -0.784 . . . . 1.74 108.883 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.64 -45.85 92.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.384 -0.823 . . . . 0.29999999999999999 109.656 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -59.99 -49.88 75.93 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.174 -0.954 . . . . 1.22 109.29 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' CD ' ' HZ3' ' B' ' 33' ' ' LYS . 86.1 tt0 -60.52 -40.13 90.32 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.209 -0.932 . . . . 1.72 110.038 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.99 -50.13 74.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.081 -1.012 . . . . 0.27000000000000002 110.018 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.5 -41.31 97.1 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.01 . . . . 0.28999999999999998 109.109 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.47 -39.96 92.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 1.9099999999999999 109.067 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD11 HE22 ' B' ' 36' ' ' GLN . 58.7 tp -59.87 -49.95 75.68 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.683 -0.858 . . . . 0.40999999999999998 108.683 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.96 -40.07 87.76 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.084 -1.01 . . . . 1.5600000000000001 109.699 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.21 -39.67 87.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.287 -0.883 . . . . 1.4299999999999999 109.49 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.64 85.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 0.66000000000000003 109.607 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' NE2' ' B' ' 36' ' ' GLN . 78.1 mt-30 -79.6 -10.98 59.88 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.141 -0.974 . . . . 1.1799999999999999 109.462 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -70.02 -17.93 63.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.17 -0.956 . . . . 1.23 109.723 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.97 33.54 0.9 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.589 -1.404 . . . . 1.54 109.589 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 37' ' ' ALA . 49.6 tptt -86.09 -74.97 0.4 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.122 -1.222 . . . . 4.1799999999999997 109.222 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.51 ' C ' ' H ' ' A' ' 42' ' ' GLY . 32.1 mt-10 -58.97 148.09 71.4 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.226 -0.921 . . . . 5.71 109.121 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -63.63 9.81 0.12 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 121.08 1.187 . . . . 5.6100000000000003 110.43 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.411 0 CA-C-O 118.026 -1.43 . . . . 7.2400000000000002 109.591 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 2' ' ' LYS . 96.9 mttt . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.269 0.557 . . . . 7.3399999999999999 109.551 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' B' ' 1' ' ' LYS . 67.6 mttm 48.81 -177.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.366 -0.834 . . . . 7.1699999999999999 109.534 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.406 ' N ' ' HD3' ' B' ' 4' ' ' PRO . 63.0 mttp 48.88 60.2 15.97 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.14 -0.975 . . . . 6.4400000000000004 110.166 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . 0.406 ' HD3' ' N ' ' B' ' 3' ' ' LYS . 1.1 Cg_endo -61.49 153.9 63.13 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.275 1.317 . . . . 4.54 109.682 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.41 125.36 30.31 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.061 -1.024 . . . . 4.3200000000000003 108.75 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -81.12 121.75 26.49 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.95 . . . . 2.4700000000000002 109.516 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.523 ' O ' ' CE2' ' B' ' 9' ' ' TYR . . . -74.07 147.02 37.29 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.13 -1.588 . . . . 0.94999999999999996 109.13 179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -60.22 131.59 51.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.173 -1.193 . . . . 1.6100000000000001 109.083 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 98.1 m-85 -108.16 145.03 34.76 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.553 -0.717 . . . . 0.56999999999999995 109.515 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.99 138.99 42.83 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.338 -0.851 . . . . 0.53000000000000003 109.507 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 70.2 p -88.18 150.75 23.14 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.221 -0.925 . . . . 0.38 108.805 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -145.92 131.73 19.05 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.209 -0.932 . . . . 0.35999999999999999 109.705 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.68 129.41 34.95 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.585 -0.894 . . . . 1.3600000000000001 108.585 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.96 120.49 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.489 -0.757 . . . . 0.48999999999999999 109.986 -178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' B' ' 15' ' ' ARG . 42.0 ttt-85 -74.92 142.59 43.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.429 -0.794 . . . . 2.1000000000000001 110.284 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.48 119.41 1.34 Allowed Glycine 0 N--CA 1.496 2.685 0 N-CA-C 110.256 -1.138 . . . . 0.44 110.256 179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 43.5 ttt-85 -62.51 -42.68 99.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.237 -1.155 . . . . 2.7200000000000002 109.232 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.09 -41.48 92.57 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.108 -0.995 . . . . 2.21 109.042 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -60.04 -40.09 88.21 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.307 -0.871 . . . . 2.79 109.262 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -58.48 -49.61 76.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.435 -0.791 . . . . 0.45000000000000001 109.619 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.89 -41.15 90.96 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.057 -1.027 . . . . 1.6799999999999999 108.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.16 -50.09 73.21 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.451 -0.78 . . . . 0.42999999999999999 109.585 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.81 -41.3 97.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.387 -0.821 . . . . 0.28000000000000003 109.419 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.03 -42.31 89.87 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.108 -0.995 . . . . 2.52 108.917 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -60.2 -46.96 87.95 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.303 -0.873 . . . . 1.75 108.778 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.71 -45.84 92.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.273 -0.892 . . . . 0.31 109.54 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -59.98 -49.2 78.59 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.038 -1.039 . . . . 1.21 109.47 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.05 -40.26 92.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.413 -0.804 . . . . 1.6899999999999999 109.894 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.86 -50.02 75.41 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.27000000000000002 109.831 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.3 mt -61.5 -41.72 97.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.114 -0.991 . . . . 0.29999999999999999 109.276 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.17 -39.44 90.15 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.284 -0.885 . . . . 1.9299999999999999 109.098 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.425 HD11 HE22 ' A' ' 36' ' ' GLN . 58.2 tp -59.88 -49.8 76.26 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 109.072 -0.714 . . . . 0.40000000000000002 109.072 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.466 ' HZ3' ' CD ' ' A' ' 28' ' ' GLU . 34.8 ttmt -60.7 -40.37 91.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.323 -0.861 . . . . 1.5900000000000001 109.345 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -40.05 87.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.278 -0.889 . . . . 1.4299999999999999 109.327 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.42 85.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.419 -0.801 . . . . 0.65000000000000002 109.551 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.503 ' NE2' ' NE2' ' A' ' 36' ' ' GLN . 78.1 mt-30 -79.84 -10.55 59.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.17 -0.956 . . . . 1.1899999999999999 109.529 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' B' ' 39' ' ' LYS . . . -70.13 -18.27 63.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 1.22 109.558 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.63 32.59 0.86 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.729 -1.348 . . . . 1.53 109.729 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' B' ' 37' ' ' ALA . 49.5 tptt -85.05 -75.56 0.35 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.315 -1.109 . . . . 4.21 109.056 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' B' ' 42' ' ' GLY . 30.6 mt-10 -57.74 148.07 59.28 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.275 -0.891 . . . . 5.6799999999999997 109.278 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -64.14 9.91 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 121.141 1.227 . . . . 5.5700000000000003 110.433 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' B' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.493 2.483 0 CA-C-O 118.016 -1.436 . . . . 7.2000000000000002 109.666 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' C' ' 2' ' ' LYS . 95.6 mttt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.586 -0.524 . . . . 8.9600000000000009 109.586 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' C' ' 1' ' ' LYS . 67.8 mttm 49.63 -178.03 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.374 -0.829 . . . . 8.1500000000000004 109.176 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 63.2 mttp 49.15 60.0 16.22 Favored Pre-proline 0 C--N 1.302 -1.469 0 O-C-N 121.34 -0.85 . . . . 7.1500000000000004 110.204 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -61.5 153.12 68.66 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 121.185 1.257 . . . . 4.3499999999999996 109.509 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 77.3 mt -80.59 126.5 31.32 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.107 -0.996 . . . . 4.6299999999999999 108.889 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -82.1 119.18 23.7 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.044 -1.035 . . . . 2.8500000000000001 109.661 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' C' ' 9' ' ' TYR . . . -70.73 146.74 42.33 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.323 -1.511 . . . . 1.1200000000000001 109.323 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.05 132.41 53.84 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.029 -1.277 . . . . 2.1099999999999999 109.084 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' C' ' 7' ' ' GLY . 97.9 m-85 -109.49 144.92 37.08 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.474 -0.766 . . . . 0.64000000000000001 109.57 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -136.3 138.87 42.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.327 -0.858 . . . . 0.48999999999999999 109.531 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -88.11 150.23 23.47 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.77 -0.826 . . . . 0.46999999999999997 108.77 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -145.41 131.49 19.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.177 -0.952 . . . . 0.41999999999999998 109.686 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.38 129.28 34.98 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.549 -0.908 . . . . 1.8100000000000001 108.549 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.06 121.47 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.308 -0.87 . . . . 0.41999999999999998 109.843 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.0 ttt-85 -75.16 143.34 43.3 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.555 -0.716 . . . . 2.3500000000000001 110.254 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.95 119.71 1.25 Allowed Glycine 0 N--CA 1.494 2.55 0 N-CA-C 110.381 -1.088 . . . . 0.40999999999999998 110.381 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -62.68 -43.42 98.84 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.37 -1.076 . . . . 2.5899999999999999 109.194 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -59.93 -41.53 91.99 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.123 -0.986 . . . . 2.54 109.156 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -60.07 -39.79 87.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.481 -0.762 . . . . 3.3900000000000001 109.39 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -58.83 -49.63 76.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.46999999999999997 109.713 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.92 -41.34 91.49 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.147 -0.971 . . . . 1.6599999999999999 108.681 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 65.5 ttp -62.0 -50.04 73.62 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.229 -0.919 . . . . 0.60999999999999999 109.585 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.73 -40.57 95.55 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.263 -0.898 . . . . 0.33000000000000002 109.45 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -59.39 -42.66 92.24 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.407 -0.808 . . . . 3.2799999999999998 108.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -60.19 -47.22 86.88 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.327 -0.858 . . . . 1.78 108.842 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.77 -45.32 94.41 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 0.38 109.614 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -60.02 -49.98 75.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 1.2 109.514 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.33 -40.52 90.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.401 -0.812 . . . . 2.1200000000000001 109.946 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.92 -49.83 76.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.089 -1.007 . . . . 0.26000000000000001 109.91 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.64 -41.99 98.28 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 0.40000000000000002 109.012 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.7 -39.63 89.23 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.277 -0.89 . . . . 2.0899999999999999 109.142 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.513 HD11 HE22 ' D' ' 36' ' ' GLN . 57.8 tp -60.41 -49.94 75.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.376 -0.827 . . . . 0.75 109.148 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . 0.526 ' HZ1' ' HB3' ' D' ' 28' ' ' GLU . 35.5 ttmt -60.28 -40.17 89.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.398 -0.814 . . . . 2.1899999999999999 109.326 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.11 -40.01 88.21 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.404 -0.81 . . . . 1.3400000000000001 109.544 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.55 83.82 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.194 -0.941 . . . . 0.71999999999999997 109.694 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.509 HE22 HD11 ' D' ' 32' ' ' LEU . 78.1 mt-30 -80.08 -10.67 59.78 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.085 -1.01 . . . . 1.8 109.511 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' C' ' 39' ' ' LYS . . . -70.21 -19.83 63.14 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 1.3899999999999999 109.622 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.63 32.53 0.71 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.629 -1.388 . . . . 1.6599999999999999 109.629 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' C' ' 37' ' ' ALA . 49.0 tptt -84.44 -74.21 0.39 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.212 -1.169 . . . . 4.4500000000000002 109.086 -179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' C' ' 42' ' ' GLY . 35.0 mt-10 -59.1 148.16 72.14 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.108 -0.995 . . . . 6.1900000000000004 109.325 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -63.27 8.88 0.12 Allowed 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 121.212 1.274 . . . . 5.5800000000000001 110.338 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' C' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.492 2.405 0 CA-C-O 118.184 -1.342 . . . . 6.9000000000000004 109.904 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 2' ' ' LYS . 95.8 mttt . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.128 -0.693 . . . . 7.3600000000000003 109.128 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' D' ' 1' ' ' LYS . 67.6 mttm 49.47 -177.8 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 7.1500000000000004 109.498 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 63.6 mttp 48.41 60.74 15.08 Favored Pre-proline 0 C--N 1.302 -1.465 0 O-C-N 121.167 -0.958 . . . . 6.5 110.204 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -62.09 153.4 69.53 Favored 'Trans proline' 0 C--N 1.318 -1.069 0 C-N-CA 121.35 1.367 . . . . 4.5 109.7 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.98 126.96 32.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.07 -1.019 . . . . 4.3200000000000003 108.751 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -82.0 119.48 24.04 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.097 -1.002 . . . . 2.46 109.641 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE2' ' D' ' 9' ' ' TYR . . . -71.46 146.96 41.49 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.309 -1.516 . . . . 0.96999999999999997 109.309 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.42 132.23 53.25 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.19 -1.182 . . . . 1.6699999999999999 109.021 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . 0.531 ' CE2' ' O ' ' D' ' 7' ' ' GLY . 97.9 m-85 -109.47 144.38 37.78 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.394 -0.816 . . . . 0.60999999999999999 109.693 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -135.45 140.46 44.88 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.367 -0.833 . . . . 0.56000000000000005 109.506 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 74.5 p -89.24 151.04 22.36 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.783 -0.821 . . . . 0.42999999999999999 108.783 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -146.28 131.84 18.78 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.109 -0.994 . . . . 0.34999999999999998 109.559 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -83.81 129.49 34.94 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.613 -0.884 . . . . 1.3700000000000001 108.613 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -119.95 121.2 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.559 -0.713 . . . . 0.47999999999999998 109.799 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -75.23 142.99 43.32 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.588 -0.695 . . . . 2.0800000000000001 110.078 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.58 119.93 1.2 Allowed Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.573 -1.011 . . . . 0.40000000000000002 110.573 179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -62.84 -42.9 99.92 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.433 -1.039 . . . . 2.6400000000000001 109.166 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.26 -40.89 91.93 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.254 -0.903 . . . . 2.2200000000000002 108.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.92 -39.97 91.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.38 -0.825 . . . . 2.7400000000000002 109.32 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.59 -49.54 77.08 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.453 -0.78 . . . . 0.42999999999999999 109.72 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.86 -40.89 90.17 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 120.955 -1.091 . . . . 1.6899999999999999 108.847 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 65.6 ttp -62.45 -50.07 72.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.402 -0.811 . . . . 0.42999999999999999 109.63 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -61.88 -40.37 95.15 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.472 -0.767 . . . . 0.27000000000000002 109.254 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -59.46 -42.69 92.56 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.298 -0.876 . . . . 2.4500000000000002 108.851 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . 0.518 ' CD ' ' HZ2' ' C' ' 33' ' ' LYS . 54.1 tp10 -60.14 -46.99 87.79 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.816 -0.809 . . . . 1.75 108.816 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -61.56 -46.22 90.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.415 -0.803 . . . . 0.31 109.651 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -59.88 -50.09 75.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.086 -1.009 . . . . 1.22 109.428 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . 0.526 ' HB3' ' HZ1' ' C' ' 33' ' ' LYS . 87.1 tt0 -60.08 -40.28 89.0 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.26 -0.9 . . . . 1.73 109.798 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -60.01 -50.44 73.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.101 -0.999 . . . . 0.28000000000000003 109.903 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.73 -42.69 97.84 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.161 -0.962 . . . . 0.31 109.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.25 -39.87 88.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.085 -1.01 . . . . 1.9099999999999999 109.174 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.509 HD11 HE22 ' C' ' 36' ' ' GLN . 59.0 tp -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.328 -0.858 . . . . 0.42999999999999999 108.873 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.08 -40.25 88.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.2 -0.938 . . . . 1.5700000000000001 109.396 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.94 -40.09 87.76 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.133 -0.979 . . . . 1.4399999999999999 109.477 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.99 84.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.64000000000000001 109.676 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.513 HE22 HD11 ' C' ' 32' ' ' LEU . 78.1 mt-30 -79.79 -10.66 59.81 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.014 -1.054 . . . . 1.21 109.455 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' D' ' 39' ' ' LYS . . . -70.03 -18.9 63.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.227 -0.92 . . . . 1.22 109.742 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.4 33.34 0.81 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.568 -1.413 . . . . 1.5 109.568 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' D' ' 37' ' ' ALA . 49.1 tptt -85.55 -74.12 0.42 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.395 -1.062 . . . . 4.1799999999999997 109.049 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . 0.526 ' C ' ' H ' ' D' ' 42' ' ' GLY . 29.4 mt-10 -59.86 147.6 78.66 Favored Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.101 -0.999 . . . . 5.6699999999999999 109.491 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -62.78 9.62 0.1 Allowed 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 121.13 1.22 . . . . 5.6500000000000004 110.428 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' D' ' 40' ' ' GLU . . . . . . . . 0 N--CA 1.491 2.347 0 CA-C-O 118.104 -1.387 . . . . 7.2699999999999996 109.646 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.3 tttp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.051 -0.722 . . . . 7.3300000000000001 109.051 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.2 mttp 52.72 61.7 3.06 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.22 -0.925 . . . . 7.21 109.815 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.9 tttp 70.99 72.25 0.28 Allowed Pre-proline 0 N--CA 1.496 1.826 0 O-C-N 121.707 -0.621 . . . . 6.4699999999999998 109.932 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -65.04 -159.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 121.428 1.419 . . . . 4.5300000000000002 109.614 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.05 143.35 37.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.111 -0.993 . . . . 4.3499999999999996 109.29 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -80.16 -12.9 59.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.32 -0.862 . . . . 2.48 109.36 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 98.08 0.61 Allowed Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.528 -1.429 . . . . 0.97999999999999998 109.528 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.35 139.95 58.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.161 -1.199 . . . . 1.7 109.538 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -100.69 140.99 34.18 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.568 -0.707 . . . . 0.60999999999999999 109.564 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -130.17 140.28 50.78 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.449 -0.782 . . . . 0.57999999999999996 109.794 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.7 p -90.5 157.83 17.34 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.153 -0.967 . . . . 0.41999999999999998 108.469 178.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.3 129.32 13.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 0.35999999999999999 109.532 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -84.52 128.68 34.72 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.318 -0.993 . . . . 1.3700000000000001 108.318 179.221 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.0 mt -120.29 120.04 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 CA-C-O 121.505 0.669 . . . . 0.46999999999999997 109.247 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HG2' HH11 ' A' ' 15' ' ' ARG . 38.4 ttt-85 -78.54 146.47 34.27 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.476 -0.765 . . . . 2.1000000000000001 110.374 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.43 121.07 0.54 Allowed Glycine 0 N--CA 1.492 2.427 0 N-CA-C 110.597 -1.001 . . . . 0.41999999999999998 110.597 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -62.15 -39.99 94.48 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.332 -1.099 . . . . 2.6800000000000002 109.157 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.81 -43.68 94.36 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.276 -0.89 . . . . 2.2200000000000002 108.634 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' OD2' ' C' ' 34' ' ' ASP . 42.2 ttm180 -60.24 -40.6 90.81 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.116 -0.99 . . . . 2.77 108.595 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -59.99 -44.95 94.19 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.354 -0.842 . . . . 0.42999999999999999 109.147 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.01 -41.97 93.3 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.329 -0.857 . . . . 1.6599999999999999 108.837 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -63.1 -52.43 62.67 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.529 -0.915 . . . . 0.44 108.529 179.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.42 -39.97 89.34 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.643 -0.873 . . . . 0.28999999999999998 108.643 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HG2' HH11 ' A' ' 24' ' ' ARG . 3.9 ttt-85 -58.27 -49.5 76.9 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.003 -0.74 . . . . 2.4399999999999999 109.003 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.282 -0.886 . . . . 1.74 109.475 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.23 -40.99 97.96 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.298 -0.876 . . . . 0.29999999999999999 109.908 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.33 -50.18 74.64 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.949 -1.094 . . . . 1.22 109.394 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 24' ' ' ARG . 0.3 OUTLIER -62.94 -39.78 95.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.371 -0.83 . . . . 1.72 109.656 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.12 -49.83 76.36 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.29 -0.882 . . . . 0.27000000000000002 109.429 -179.32 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.13 -43.99 97.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.153 -0.967 . . . . 0.28999999999999998 109.36 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.58 -40.12 93.62 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.237 -0.914 . . . . 1.9099999999999999 109.307 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -49.45 77.61 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.397 -0.815 . . . . 0.40999999999999998 109.317 -179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -60.44 -48.93 79.6 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.205 -0.934 . . . . 1.5600000000000001 109.545 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 98.5 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.408 -0.807 . . . . 1.4299999999999999 110.191 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.6 -42.46 95.55 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.188 -0.945 . . . . 0.66000000000000003 109.793 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' B' ' 36' ' ' GLN . 27.8 mt-30 -85.64 -6.87 59.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.437 -0.789 . . . . 1.1799999999999999 109.974 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.48 63.23 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.192 -0.942 . . . . 1.23 109.862 -179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.34 1.23 61.37 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.619 -1.392 . . . . 1.54 109.619 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -86.83 -75.82 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.231 -1.158 . . . . 4.1799999999999997 109.749 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.57 148.86 53.99 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 5.71 109.493 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -56.33 157.69 17.38 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 121.023 1.148 . . . . 5.6100000000000003 109.84 179.297 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.124 -1.591 . . . . 7.2400000000000002 109.124 179.829 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 62.8 tttp . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.392 0.615 . . . . 7.3399999999999999 109.689 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' B' ' 3' ' ' LYS . 59.3 mttp 50.89 60.81 3.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.328 -0.858 . . . . 7.1699999999999999 110.101 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' B' ' 2' ' ' LYS . 34.7 tttp 72.09 71.9 0.27 Allowed Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.582 -0.699 . . . . 6.4400000000000004 109.822 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.62 -157.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.318 -1.074 0 C-N-CA 121.258 1.306 . . . . 4.54 109.626 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.46 142.92 35.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.306 -0.871 . . . . 4.3200000000000003 109.378 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -80.51 -11.08 59.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.914 . . . . 2.4700000000000002 109.6 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.91 97.59 0.74 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.261 -1.535 . . . . 0.94999999999999996 109.261 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.6 139.84 58.22 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.256 -1.143 . . . . 1.6100000000000001 109.449 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -100.64 140.91 34.24 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.212 -0.93 . . . . 0.56999999999999995 109.627 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -130.68 139.37 50.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.415 -0.803 . . . . 0.53000000000000003 109.716 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 81.0 p -89.82 155.35 19.23 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.294 -0.879 . . . . 0.38 108.71 179.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 63.2 tp -147.23 129.63 15.79 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.964 -1.085 . . . . 0.35999999999999999 109.596 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -83.99 128.36 34.5 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.348 -0.982 . . . . 1.3600000000000001 108.348 179.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.0 119.55 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.428 -0.795 . . . . 0.48999999999999999 109.095 -179.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 38.7 ttt-85 -77.62 146.47 36.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.458 -0.776 . . . . 2.1000000000000001 110.131 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.97 120.15 0.46 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.813 -0.915 . . . . 0.44 110.813 178.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -61.09 -39.88 91.59 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.44 -1.035 . . . . 2.7200000000000002 109.059 179.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -59.95 -43.68 94.87 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.309 -0.869 . . . . 2.21 108.749 -179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.544 ' NH2' ' OD2' ' D' ' 34' ' ' ASP . 41.4 ttm180 -60.4 -40.75 92.06 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.59 -0.893 . . . . 2.79 108.59 179.102 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -60.04 -45.18 93.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.335 -0.853 . . . . 0.45000000000000001 109.251 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.93 -41.32 91.54 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.679 179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.2 ttm -63.6 -52.1 62.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.18 -0.95 . . . . 0.42999999999999999 108.526 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -61.07 -40.09 92.34 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.405 -0.961 . . . . 0.28000000000000003 108.405 179.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.496 ' HG2' HH11 ' B' ' 24' ' ' ARG . 3.2 ttt-85 -57.77 -49.89 75.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.537 -0.727 . . . . 2.52 109.117 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.13 -46.92 88.02 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.274 -0.891 . . . . 1.75 109.751 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.53 -41.67 98.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.31 109.729 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -60.12 -50.52 73.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.147 -0.971 . . . . 1.21 109.469 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 24' ' ' ARG . 0.3 OUTLIER -62.6 -39.7 94.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 1.6899999999999999 109.437 179.319 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.35 -50.15 75.07 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.176 -0.952 . . . . 0.27000000000000002 109.476 -179.29 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.15 -44.65 97.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.991 -1.068 . . . . 0.29999999999999999 109.203 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.33 -39.89 92.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.253 -0.905 . . . . 1.9299999999999999 109.372 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.27 -49.58 77.03 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.423 -0.798 . . . . 0.40000000000000002 109.153 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -60.21 -48.85 79.97 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.211 -0.931 . . . . 1.5900000000000001 109.438 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.49 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 98.9 m-20 -59.75 -40.2 87.36 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.577 -0.702 . . . . 1.4299999999999999 110.205 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.56 95.53 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.028 -1.045 . . . . 0.65000000000000002 109.984 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.424 ' OE1' ' OE1' ' A' ' 36' ' ' GLN . 27.8 mt-30 -85.45 -7.06 59.12 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.226 -0.921 . . . . 1.1899999999999999 110.057 -179.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.59 63.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.209 -0.932 . . . . 1.22 109.698 -179.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.47 2.07 59.15 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.409 -1.476 . . . . 1.53 109.409 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -87.92 -75.42 0.42 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.246 -1.149 . . . . 4.21 109.761 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -57.92 148.61 58.71 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.303 -0.873 . . . . 5.6799999999999997 109.338 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -55.85 158.22 14.44 Favored 'Trans proline' 0 C--N 1.324 -0.733 0 C-N-CA 120.872 1.048 . . . . 5.5700000000000003 109.702 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 117.978 -1.456 . . . . 7.2000000000000002 109.495 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.236 -0.653 . . . . 8.9600000000000009 109.236 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' C' ' 3' ' ' LYS . 59.4 mttp 52.45 60.32 3.89 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.304 -0.873 . . . . 8.1500000000000004 110.12 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' C' ' 2' ' ' LYS . 34.7 tttp 72.72 71.57 0.26 Allowed Pre-proline 0 N--CA 1.497 1.875 0 O-C-N 121.627 -0.671 . . . . 7.1500000000000004 109.75 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.85 -159.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.319 -1.003 0 C-N-CA 121.336 1.358 . . . . 4.3499999999999996 109.594 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 87.6 mt -77.89 143.79 37.45 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.394 -0.816 . . . . 4.6299999999999999 109.36 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -80.87 -12.84 59.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.376 -0.828 . . . . 2.8500000000000001 109.422 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.28 98.28 0.64 Allowed Glycine 0 N--CA 1.487 2.039 0 N-CA-C 109.321 -1.512 . . . . 1.1200000000000001 109.321 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.57 139.9 58.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.368 -1.077 . . . . 2.1099999999999999 109.428 179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.74 140.65 34.72 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.864 . . . . 0.64000000000000001 109.83 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -131.01 138.23 49.56 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.436 -0.79 . . . . 0.48999999999999999 110.045 -179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.9 p -88.13 157.56 18.8 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.83 -0.804 . . . . 0.46999999999999997 108.83 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -149.46 129.15 13.21 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.07 -1.019 . . . . 0.41999999999999998 109.664 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -83.73 129.15 34.95 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.399 -0.963 . . . . 1.8100000000000001 108.399 178.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.23 119.92 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.459 -0.776 . . . . 0.41999999999999998 109.227 -179.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.6 ttt-85 -78.78 146.39 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.495 -0.753 . . . . 2.3500000000000001 110.231 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.0 120.65 0.48 Allowed Glycine 0 N--CA 1.491 2.345 0 C-N-CA 120.267 -0.968 . . . . 0.40999999999999998 110.787 178.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -61.28 -39.98 92.44 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.528 -0.984 . . . . 2.5899999999999999 109.218 179.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.11 -43.04 95.89 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.642 -0.873 . . . . 2.54 108.642 -179.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.475 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -61.14 -40.7 94.81 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.29 -1.004 . . . . 3.3900000000000001 108.29 179.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.75 -45.76 91.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.46999999999999997 109.282 179.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.86 -41.97 92.65 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.914 . . . . 1.6599999999999999 108.754 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttm -62.62 -52.4 63.5 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.422 -0.955 . . . . 0.60999999999999999 108.422 178.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -60.55 -40.0 89.96 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.82 -0.807 . . . . 0.33000000000000002 108.82 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . 0.526 HH11 ' HG2' ' C' ' 24' ' ' ARG . 3.9 ttt-85 -58.6 -48.89 79.43 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.497 -0.752 . . . . 3.2799999999999998 109.034 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.19 -48.14 82.99 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.21 -0.931 . . . . 1.78 109.322 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.65 -41.29 98.96 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.301 -0.874 . . . . 0.38 109.98 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -60.06 -49.99 75.49 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.132 -0.98 . . . . 1.2 109.587 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' C' ' 24' ' ' ARG . 0.4 OUTLIER -63.26 -39.2 93.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.273 -0.892 . . . . 2.1200000000000001 109.545 179.613 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.635 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.74 -50.45 73.76 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.323 -0.86 . . . . 0.26000000000000001 109.459 -179.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.76 -45.73 93.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.982 -1.074 . . . . 0.40000000000000002 108.977 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.65 90.04 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.155 -0.966 . . . . 2.0899999999999999 109.739 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.07 -49.44 77.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.311 -0.868 . . . . 0.75 109.248 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -60.13 -48.82 80.13 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.202 -0.936 . . . . 2.1899999999999999 109.359 179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' A' ' 19' ' ' ARG . 98.3 m-20 -59.86 -40.13 87.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.525 -0.734 . . . . 1.3400000000000001 110.428 -179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.2 95.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.239 -0.913 . . . . 0.71999999999999997 110.004 -179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' D' ' 36' ' ' GLN . 27.9 mt-30 -86.12 -7.02 58.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.314 -0.866 . . . . 1.8 109.906 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.04 -21.31 63.19 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.179 -0.951 . . . . 1.3899999999999999 109.835 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.02 -0.14 64.27 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.573 -1.411 . . . . 1.6599999999999999 109.573 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.43 -75.0 0.4 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.377 -1.072 . . . . 4.4500000000000002 109.917 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.14 148.4 61.88 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.209 -0.932 . . . . 6.1900000000000004 109.406 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -55.96 158.2 14.85 Favored 'Trans proline' 0 C--O 1.215 -0.635 0 C-N-CA 120.965 1.11 . . . . 5.5800000000000001 109.553 179.409 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.996 -1.447 . . . . 6.9000000000000004 109.67 -179.823 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 121.398 0.618 . . . . 7.3600000000000003 109.497 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 50.6 62.11 2.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 7.1500000000000004 110.061 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 tttp 71.34 71.7 0.29 Allowed Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.56 -0.712 . . . . 6.5 109.957 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.68 -158.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 121.417 1.412 . . . . 4.5 109.628 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.57 143.84 36.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.271 -0.893 . . . . 4.3200000000000003 109.13 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -80.9 -12.54 59.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.227 -0.921 . . . . 2.46 109.45 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.84 97.72 0.65 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.418 -1.473 . . . . 0.96999999999999997 109.418 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.67 140.0 58.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.381 -1.07 . . . . 1.6699999999999999 109.579 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -100.79 141.37 33.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.517 -0.739 . . . . 0.60999999999999999 109.319 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -131.48 138.84 49.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.532 -0.73 . . . . 0.56000000000000005 109.737 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.05 157.48 18.33 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.193 -0.942 . . . . 0.42999999999999999 108.581 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 63.7 tp -148.97 130.06 14.46 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.899 -1.126 . . . . 0.34999999999999998 109.301 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -85.57 128.31 34.71 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.13 -0.981 . . . . 1.3700000000000001 108.421 179.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 84.9 mt -120.12 119.08 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.47999999999999998 109.329 -179.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 39.9 ttt-85 -76.99 146.69 37.29 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.633 -0.667 . . . . 2.0800000000000001 110.204 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.01 120.45 0.47 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.82 -0.912 . . . . 0.40000000000000002 110.82 178.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -61.81 -39.89 93.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.495 -1.003 . . . . 2.6400000000000001 108.677 178.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.06 -42.67 95.03 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 2.2200000000000002 108.872 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.49 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.4 ttm180 -61.48 -40.43 94.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.026 -1.046 . . . . 2.7400000000000002 108.593 179.088 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.98 -45.4 92.83 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.409 -0.807 . . . . 0.42999999999999999 109.25 179.326 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.96 -42.23 93.65 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.141 -0.975 . . . . 1.6899999999999999 108.621 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttm -62.12 -52.93 61.91 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.221 -0.924 . . . . 0.42999999999999999 108.529 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.53 -39.95 89.71 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.487 -0.931 . . . . 0.27000000000000002 108.487 179.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . 0.507 ' HG2' HH11 ' D' ' 24' ' ' ARG . 3.6 ttt-85 -58.33 -49.57 76.73 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.401 -0.812 . . . . 2.4500000000000002 109.076 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.05 -47.72 84.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.322 -0.861 . . . . 1.75 109.548 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.87 -41.38 99.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.144 -0.973 . . . . 0.31 109.983 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -60.29 -49.84 76.0 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.035 -1.04 . . . . 1.22 109.572 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -39.79 95.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.462 -0.774 . . . . 1.73 109.285 179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.635 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.24 -50.53 73.66 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.308 -0.87 . . . . 0.28000000000000003 109.339 -179.396 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.76 -45.22 95.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.122 -0.986 . . . . 0.31 108.999 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.56 -40.08 90.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.295 -0.878 . . . . 1.9099999999999999 110.005 179.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 63.9 tp -60.2 -49.27 78.31 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.274 -0.891 . . . . 0.42999999999999999 109.379 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -60.4 -48.76 80.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 1.5700000000000001 109.475 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . 0.544 ' OD2' ' NH2' ' B' ' 19' ' ' ARG . 98.0 m-20 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.516 -0.74 . . . . 1.4399999999999999 110.04 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.81 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.22 -0.925 . . . . 0.64000000000000001 110.108 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.437 ' OE1' ' OE1' ' C' ' 36' ' ' GLN . 27.9 mt-30 -86.24 -6.96 58.86 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.18 -0.95 . . . . 1.21 109.896 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.91 -21.87 63.26 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.204 -0.935 . . . . 1.22 109.713 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -76.17 1.2 60.82 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.576 -1.41 . . . . 1.5 109.576 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -86.97 -74.59 0.43 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.303 -1.116 . . . . 4.1799999999999997 109.816 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -59.62 148.55 74.36 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.212 -0.93 . . . . 5.6699999999999999 109.429 -179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.52 157.46 15.12 Favored 'Trans proline' 0 C--O 1.214 -0.712 0 C-N-CA 121.062 1.175 . . . . 5.6500000000000004 109.572 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.382 -1.487 . . . . 7.2699999999999996 109.382 179.781 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' LYS . 99.2 mttt . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.522 -0.547 . . . . 7.3300000000000001 109.522 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' LYS . 84.2 tttt 55.78 164.41 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.433 -0.792 . . . . 7.21 109.111 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 78.9 mttt 50.49 62.49 11.57 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 120.89 -1.131 . . . . 6.4699999999999998 109.763 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -56.34 151.4 44.82 Favored 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.099 1.199 . . . . 4.5300000000000002 109.29 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -80.69 104.16 11.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.008 -1.057 . . . . 4.3499999999999996 109.07 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.27 -170.93 3.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.468 -0.77 . . . . 2.48 109.361 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.0 164.35 39.94 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.171 -1.572 . . . . 0.97999999999999998 109.171 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.04 139.92 57.15 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.357 -1.084 . . . . 1.7 109.979 -179.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.02 148.23 22.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.60999999999999999 109.047 179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -135.08 136.43 42.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.289 -0.882 . . . . 0.57999999999999996 109.605 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.0 p -88.88 151.92 22.05 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.336 -0.853 . . . . 0.41999999999999998 109.035 179.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.9 tp -146.84 131.15 17.52 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.171 -0.956 . . . . 0.35999999999999999 109.676 -179.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.66 129.99 34.97 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.4 -0.963 . . . . 1.3700000000000001 108.4 179.011 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -120.02 121.01 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.286 -0.884 . . . . 0.46999999999999997 109.976 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -74.57 141.91 44.72 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 121.306 0.574 . . . . 2.1000000000000001 110.339 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.37 126.28 0.95 Allowed Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.525 -1.03 . . . . 0.41999999999999998 110.525 178.627 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -66.57 -39.96 88.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.411 -1.052 . . . . 2.6800000000000002 109.32 179.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.06 -43.63 95.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.168 -0.957 . . . . 2.2200000000000002 109.331 179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.401 HH12 ' CG ' ' C' ' 31' ' ' GLU . 41.7 ttm180 -60.12 -40.05 88.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 2.77 109.025 179.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -59.9 -48.92 79.74 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.536 -0.727 . . . . 0.42999999999999999 109.469 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -59.31 -43.54 92.64 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.004 -1.06 . . . . 1.6599999999999999 108.724 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' D' ' 22' ' ' MET . 63.6 ttp -61.2 -49.71 76.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.307 -0.871 . . . . 0.44 109.178 179.355 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -60.86 -40.48 93.06 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.319 -0.863 . . . . 0.28999999999999998 109.189 179.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -59.36 -45.21 92.05 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.172 -0.955 . . . . 2.4399999999999999 108.562 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.0 -47.44 85.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.438 -0.788 . . . . 1.74 108.899 179.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -63.01 -42.8 99.92 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.29999999999999999 109.431 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -60.01 -50.03 75.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.19 -0.943 . . . . 1.22 109.696 -179.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.71 -40.17 96.32 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.266 -0.896 . . . . 1.72 109.521 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.65 -50.04 75.43 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.349 -0.844 . . . . 0.27000000000000002 109.607 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.78 -44.44 96.88 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.082 -1.012 . . . . 0.28999999999999998 109.229 179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HG2' HH12 ' C' ' 19' ' ' ARG . 98.9 mt-10 -60.56 -40.52 91.92 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.197 -0.94 . . . . 1.9099999999999999 109.239 179.247 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.37 -45.07 95.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.361 -0.837 . . . . 0.40999999999999998 108.865 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.5 -41.11 93.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.404 -0.81 . . . . 1.5600000000000001 109.619 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' C' ' 19' ' ' ARG . 88.3 m-20 -60.14 -39.97 88.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.231 -0.918 . . . . 1.4299999999999999 109.943 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.07 -26.72 67.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.66000000000000003 109.591 -179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.28 -37.34 71.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.253 -0.904 . . . . 1.1799999999999999 109.735 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' LYS . . . -65.32 -39.29 92.25 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.214 -0.929 . . . . 1.23 109.808 -179.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.43 54.38 0.46 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.695 -1.362 . . . . 1.54 109.695 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' ALA . 60.5 pttt -88.0 0.01 56.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.236 -1.155 . . . . 4.1799999999999997 109.283 179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.95 148.19 50.82 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 5.71 109.108 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.84 143.14 92.06 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 120.942 1.095 . . . . 5.6100000000000003 109.72 179.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.421 -1.472 . . . . 7.2400000000000002 109.421 179.966 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' B' ' 2' ' ' LYS . 99.3 mttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.408 -0.59 . . . . 7.3399999999999999 109.408 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' B' ' 1' ' ' LYS . 84.7 tttt 56.06 163.79 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.416 -0.803 . . . . 7.1699999999999999 108.946 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 50.66 62.2 12.03 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 120.941 -1.1 . . . . 6.4400000000000004 109.812 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -56.48 151.32 46.35 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 C-N-CA 121.215 1.277 . . . . 4.54 109.43 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 91.3 mt -80.17 104.54 10.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.042 -1.036 . . . . 4.3200000000000003 109.182 -179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -83.35 -175.15 5.68 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.434 -0.791 . . . . 2.4700000000000002 109.393 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.3 163.78 21.01 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.328 -1.509 . . . . 0.94999999999999996 109.328 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 139.95 57.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.285 -1.126 . . . . 1.6100000000000001 109.828 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -94.22 148.91 21.73 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.329 -0.857 . . . . 0.56999999999999995 109.051 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.45 136.95 41.72 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.331 -0.856 . . . . 0.53000000000000003 109.617 -179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -89.22 151.79 21.95 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.235 -0.916 . . . . 0.38 108.911 179.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 64.2 tp -146.31 131.24 18.16 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.059 -1.025 . . . . 0.35999999999999999 109.538 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -83.83 130.04 34.93 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.457 -0.942 . . . . 1.3600000000000001 108.457 178.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -120.04 121.55 66.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.357 -0.839 . . . . 0.48999999999999999 110.098 -179.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -74.62 142.52 44.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.688 -0.632 . . . . 2.1000000000000001 110.309 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.37 128.33 0.93 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.719 -0.952 . . . . 0.44 110.719 178.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -68.1 -40.02 82.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.533 -0.981 . . . . 2.7200000000000002 109.361 179.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.02 -43.28 95.36 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.196 -0.94 . . . . 2.21 109.149 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.49 -39.94 89.53 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.447 -0.783 . . . . 2.79 108.933 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.98 -49.38 77.91 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.522 -0.737 . . . . 0.45000000000000001 109.59 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.15 -43.8 92.06 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.114 -0.991 . . . . 1.6799999999999999 108.702 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.79 -49.31 78.02 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.444 -0.785 . . . . 0.42999999999999999 109.221 179.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.66 -40.35 94.61 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.369 -0.832 . . . . 0.28000000000000003 109.029 179.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.116 -0.99 . . . . 2.52 108.676 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.61 85.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.357 -0.839 . . . . 1.75 109.004 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.85 -42.72 99.86 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.274 -0.891 . . . . 0.31 109.444 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -59.89 -50.04 75.34 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.214 -0.929 . . . . 1.21 109.681 -179.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.2 -40.06 96.42 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.253 -0.904 . . . . 1.6899999999999999 109.447 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.64 -50.02 75.49 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.35 -0.844 . . . . 0.27000000000000002 109.524 -179.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.7 -44.59 96.64 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.077 -1.015 . . . . 0.29999999999999999 109.247 179.642 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.436 ' CG ' HH12 ' D' ' 19' ' ' ARG . 98.2 mt-10 -60.44 -40.94 92.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.243 -0.911 . . . . 1.9299999999999999 109.206 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.95 -45.44 94.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.206 -0.934 . . . . 0.40000000000000002 108.754 179.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.32 -40.75 91.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.435 -0.791 . . . . 1.5900000000000001 109.595 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.426 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 93.9 m-20 -60.1 -39.96 87.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.331 -0.856 . . . . 1.4299999999999999 109.957 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.97 67.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 0.65000000000000002 109.524 -179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.64 -38.74 73.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.33 -0.856 . . . . 1.1899999999999999 109.664 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' B' ' 39' ' ' LYS . . . -64.77 -37.86 89.03 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.189 -0.945 . . . . 1.22 109.815 -179.53 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.71 53.6 0.5 Allowed Glycine 0 N--CA 1.494 2.506 0 N-CA-C 109.794 -1.322 . . . . 1.53 109.794 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' B' ' 37' ' ' ALA . 60.7 pttt -87.97 -0.79 57.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.154 -1.204 . . . . 4.21 109.503 179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -56.22 147.74 45.16 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.929 . . . . 5.6799999999999997 109.116 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -55.89 142.95 83.6 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 120.969 1.113 . . . . 5.5700000000000003 109.789 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 CA-C-O 118.017 -1.435 . . . . 7.2000000000000002 109.549 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 2' ' ' LYS . 99.4 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.389 -0.597 . . . . 8.9600000000000009 109.389 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 1' ' ' LYS . 84.4 tttt 56.22 164.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.439 -0.788 . . . . 8.1500000000000004 109.015 -179.823 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 50.83 62.83 10.86 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 120.928 -1.108 . . . . 7.1500000000000004 109.82 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -56.52 150.22 52.94 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 121.237 1.291 . . . . 4.3499999999999996 109.438 179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 89.8 mt -79.99 103.3 9.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.125 -0.985 . . . . 4.6299999999999999 109.243 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -82.18 -172.58 4.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.443 -0.786 . . . . 2.8500000000000001 109.449 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.51 164.13 34.57 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.335 -1.506 . . . . 1.1200000000000001 109.335 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.07 139.91 57.17 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.326 -1.103 . . . . 2.1099999999999999 110.003 -179.207 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.89 148.9 21.7 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.779 . . . . 0.64000000000000001 109.0 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -135.71 136.82 41.17 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.346 -0.846 . . . . 0.48999999999999999 109.625 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 81.6 p -89.21 152.25 21.7 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.287 -0.883 . . . . 0.46999999999999997 109.015 179.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 64.3 tp -147.05 131.14 17.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.157 -0.964 . . . . 0.41999999999999998 109.532 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -83.49 130.21 35.01 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.188 -1.042 . . . . 1.8100000000000001 108.188 178.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 87.5 mt -119.87 121.09 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.33 -0.857 . . . . 0.41999999999999998 110.033 -179.265 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -74.47 142.13 44.9 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.699 -0.626 . . . . 2.3500000000000001 110.407 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.87 126.34 0.87 Allowed Glycine 0 N--CA 1.495 2.61 0 N-CA-C 110.648 -0.981 . . . . 0.40999999999999998 110.648 178.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -66.52 -40.11 89.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.39 -1.065 . . . . 2.5899999999999999 109.216 179.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -60.01 -43.39 95.26 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.134 -0.979 . . . . 2.54 109.111 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 34' ' ' ASP . 42.0 ttm180 -60.29 -40.0 88.89 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.214 -0.928 . . . . 3.3900000000000001 108.974 179.504 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -60.12 -48.58 81.12 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.474 -0.766 . . . . 0.46999999999999997 109.505 179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.1 -42.33 94.43 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.143 -0.973 . . . . 1.6599999999999999 108.737 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . . . . . . . . . 60.9 ttp -62.23 -48.91 77.86 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.394 -0.816 . . . . 0.60999999999999999 109.176 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.92 -40.54 95.83 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.475 -0.766 . . . . 0.33000000000000002 109.146 179.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 ttp180 -59.24 -44.96 92.34 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.223 -0.923 . . . . 3.2799999999999998 108.791 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.12 -47.69 84.85 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.239 -0.913 . . . . 1.78 108.871 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.82 -42.18 99.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.292 -0.88 . . . . 0.38 109.474 179.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.97 -49.92 75.8 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.266 -0.896 . . . . 1.2 109.665 -179.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.46 -39.89 95.67 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.349 -0.845 . . . . 2.1200000000000001 109.617 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.57 -50.02 75.5 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.26000000000000001 109.487 -179.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.48 -44.62 96.77 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.40000000000000002 109.34 179.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.401 ' CG ' HH12 ' A' ' 19' ' ' ARG . 98.7 mt-10 -60.78 -41.01 94.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.27 -0.893 . . . . 2.0899999999999999 109.159 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.99 -45.34 95.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.361 -0.837 . . . . 0.75 108.794 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -60.06 -40.82 90.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.297 -0.877 . . . . 2.1899999999999999 109.676 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.96 -40.08 87.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -0.918 . . . . 1.3400000000000001 110.164 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.7 -27.32 67.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.23 -0.919 . . . . 0.71999999999999997 109.591 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.3 -38.87 75.08 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.233 -0.917 . . . . 1.8 109.537 -179.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' C' ' 39' ' ' LYS . . . -64.19 -39.03 93.14 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.224 -0.922 . . . . 1.3899999999999999 109.8 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.62 54.22 0.33 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.838 -1.305 . . . . 1.6599999999999999 109.838 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' C' ' 37' ' ' ALA . 62.3 pttt -88.27 -1.07 57.81 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.226 -1.161 . . . . 4.4500000000000002 109.393 179.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -55.88 147.89 40.79 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.275 -0.89 . . . . 6.1900000000000004 108.975 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -55.54 144.53 73.75 Favored 'Trans proline' 0 C--N 1.324 -0.722 0 C-N-CA 120.977 1.118 . . . . 5.5800000000000001 109.853 179.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.388 -1.485 . . . . 6.9000000000000004 109.388 179.645 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' D' ' 2' ' ' LYS . 99.4 mttt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.219 -0.659 . . . . 7.3600000000000003 109.219 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' D' ' 1' ' ' LYS . 83.5 tttt 56.18 163.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.42 -0.8 . . . . 7.1500000000000004 109.118 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 80.1 mttt 50.44 62.22 12.07 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 120.886 -1.134 . . . . 6.5 109.797 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -56.54 151.24 47.24 Favored 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 121.103 1.202 . . . . 4.5 109.275 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.11 103.92 10.32 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.114 -0.991 . . . . 4.3200000000000003 109.241 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.55 -172.02 3.81 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.514 -0.741 . . . . 2.46 109.381 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.74 163.72 36.18 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.371 -1.492 . . . . 0.96999999999999997 109.371 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.0 139.49 57.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.49 -1.006 . . . . 1.6699999999999999 109.994 -179.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -93.51 148.41 22.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.468 -0.77 . . . . 0.60999999999999999 109.189 179.56 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -135.27 136.21 41.48 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.355 -0.84 . . . . 0.56000000000000005 109.685 -179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 77.6 p -89.01 152.16 21.85 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.298 -0.877 . . . . 0.42999999999999999 108.891 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 64.6 tp -146.91 130.95 17.25 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 0.34999999999999998 109.57 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -83.35 130.12 35.03 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.398 -0.964 . . . . 1.3700000000000001 108.398 179.089 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 87.3 mt -120.07 121.35 65.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.47999999999999998 109.909 -179.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.64 142.25 44.56 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.343 0.592 . . . . 2.0800000000000001 110.302 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.83 127.74 0.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 110.616 -0.993 . . . . 0.40000000000000002 110.616 178.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -67.85 -39.96 83.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.444 -1.033 . . . . 2.6400000000000001 109.233 179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.05 -43.68 95.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.112 -0.993 . . . . 2.2200000000000002 109.031 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.436 HH12 ' CG ' ' B' ' 31' ' ' GLU . 42.0 ttm180 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.276 -0.89 . . . . 2.7400000000000002 108.93 179.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -59.75 -48.68 80.71 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.403 -0.811 . . . . 0.42999999999999999 109.678 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.88 -43.28 94.84 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.019 -1.051 . . . . 1.6899999999999999 108.839 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . 0.461 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 62.6 ttp -61.21 -49.78 75.76 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.405 -0.809 . . . . 0.42999999999999999 109.039 179.363 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.96 -40.4 93.24 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.335 -0.853 . . . . 0.27000000000000002 109.163 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -59.5 -44.8 93.01 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.474 -0.935 . . . . 2.4500000000000002 108.474 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.14 -47.27 86.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.237 -0.914 . . . . 1.75 108.88 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.47 -42.79 98.57 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.37 -0.831 . . . . 0.31 109.478 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -60.01 -50.09 75.1 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.253 -0.905 . . . . 1.22 109.571 -179.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.05 -40.1 96.69 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.23 -0.919 . . . . 1.73 109.523 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.551 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.4 -49.92 75.96 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.377 -0.827 . . . . 0.28000000000000003 109.698 -179.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.88 -44.04 97.63 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.015 -1.053 . . . . 0.31 109.295 179.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -41.1 94.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.152 -0.967 . . . . 1.9099999999999999 109.017 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.78 -45.35 94.7 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.271 -0.893 . . . . 0.42999999999999999 108.992 179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -60.14 -41.3 92.41 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.442 -0.786 . . . . 1.5700000000000001 109.575 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -60.06 -39.95 87.79 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.284 -0.885 . . . . 1.4399999999999999 109.994 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.19 67.56 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.172 -0.955 . . . . 0.64000000000000001 109.528 -179.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -70.65 -38.83 73.87 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 1.21 109.716 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' D' ' 39' ' ' LYS . . . -64.4 -38.74 92.09 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 1.22 109.786 -179.503 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.87 54.27 0.37 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.743 -1.343 . . . . 1.5 109.743 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' D' ' 37' ' ' ALA . 60.4 pttt -88.24 0.02 56.59 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.279 -1.13 . . . . 4.1799999999999997 109.483 179.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -58.06 146.87 67.48 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.21 -0.931 . . . . 5.6699999999999999 109.146 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -54.8 143.14 72.19 Favored 'Trans proline' 0 C--O 1.215 -0.652 0 C-N-CA 121.002 1.135 . . . . 5.6500000000000004 109.722 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.385 -1.486 . . . . 7.2699999999999996 109.385 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.526 -0.546 . . . . 7.3300000000000001 109.526 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 50.02 -140.01 0.82 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.166 -0.959 . . . . 7.21 109.053 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 5' ' ' LEU . 63.5 tttm 52.18 68.3 3.27 Favored Pre-proline 0 N--CA 1.489 1.478 0 O-C-N 120.943 -1.098 . . . . 6.4699999999999998 109.51 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -66.66 14.17 0.13 Allowed 'Trans proline' 0 C--N 1.319 -0.991 0 C-N-CA 121.623 1.549 . . . . 4.5300000000000002 110.314 -179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 3' ' ' LYS . 3.4 mm? -81.15 25.0 0.49 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.034 -1.041 . . . . 4.3499999999999996 109.231 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -76.76 160.27 29.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 2.48 109.363 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.78 148.55 51.14 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.256 -1.537 . . . . 0.97999999999999998 109.256 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.07 140.03 57.1 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.239 -1.154 . . . . 1.7 110.063 -179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -98.25 146.65 25.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.5 -0.75 . . . . 0.60999999999999999 109.759 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -135.75 140.27 44.22 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.395 -0.816 . . . . 0.57999999999999996 109.884 -179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.8 p -89.72 151.37 21.88 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.293 -0.879 . . . . 0.41999999999999998 109.19 179.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.66 131.8 20.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.029 -1.045 . . . . 0.35999999999999999 109.572 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -83.17 128.36 34.42 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.35 -0.844 . . . . 1.3700000000000001 109.039 179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.5 mt -120.56 120.51 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.458 -0.776 . . . . 0.46999999999999997 109.71 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.47 143.51 44.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.438 -0.789 . . . . 2.1000000000000001 110.512 -179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.1 124.04 0.9 Allowed Glycine 0 N--CA 1.495 2.569 0 N-CA-C 110.821 -0.912 . . . . 0.41999999999999998 110.821 178.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.598 ' NH1' ' CD2' ' A' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -40.86 96.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.326 -1.102 . . . . 2.6800000000000002 109.605 179.251 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -43.1 95.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.084 -1.01 . . . . 2.2200000000000002 109.109 179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.67 -40.01 90.52 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.429 -0.795 . . . . 2.77 109.144 179.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CD2' ' NH1' ' A' ' 17' ' ' ARG . 49.3 t80 -59.61 -49.09 79.1 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.346 -0.846 . . . . 0.42999999999999999 109.298 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.49 -40.03 85.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.168 -0.957 . . . . 1.6599999999999999 108.734 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 61.9 ttp -63.49 -50.04 71.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.54 -0.725 . . . . 0.44 109.509 179.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -62.55 -40.01 95.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.28999999999999998 109.243 179.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp180 -59.25 -43.38 92.42 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.334 -0.854 . . . . 2.4399999999999999 108.84 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.18 -46.58 89.21 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.273 -0.892 . . . . 1.74 108.808 179.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.85 -43.31 99.15 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.401 -0.812 . . . . 0.29999999999999999 109.345 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.96 -50.02 75.39 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 1.22 108.955 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -40.11 94.44 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.487 -0.758 . . . . 1.72 109.499 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' B' ' 29' ' ' ALA . . . -59.31 -49.58 77.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.221 -0.924 . . . . 0.27000000000000002 109.582 -179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.69 -44.04 97.7 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.004 -1.06 . . . . 0.28999999999999998 109.192 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.267 -0.896 . . . . 1.9099999999999999 109.62 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD11 HE22 ' B' ' 36' ' ' GLN . 59.8 tp -60.04 -48.67 80.74 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.267 -0.896 . . . . 0.40999999999999998 109.097 179.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -59.99 -39.98 87.6 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.379 -0.826 . . . . 1.5600000000000001 109.439 179.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.407 -0.808 . . . . 1.4299999999999999 109.953 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.81 -40.04 93.84 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.059 -1.025 . . . . 0.66000000000000003 109.358 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.568 HE22 HD11 ' B' ' 32' ' ' LEU . 79.6 mt-30 -81.68 -10.08 59.48 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.263 -0.898 . . . . 1.1799999999999999 109.821 -179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.6 -8.53 55.69 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.222 -0.924 . . . . 1.23 109.993 -179.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.08 -2.77 87.65 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.9 -1.28 . . . . 1.54 109.9 -179.586 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -86.53 139.37 30.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.142 -1.21 . . . . 4.1799999999999997 109.724 -179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.36 150.81 31.21 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.174 -0.954 . . . . 5.71 109.195 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.11 154.7 21.59 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 121.255 1.304 . . . . 5.6100000000000003 110.013 179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.489 -1.444 . . . . 7.2400000000000002 109.489 179.974 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.26 -0.644 . . . . 7.3399999999999999 109.26 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 50.01 -139.97 0.83 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.246 -0.909 . . . . 7.1699999999999999 109.052 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.505 ' C ' ' H ' ' B' ' 5' ' ' LEU . 63.4 tttm 52.14 68.29 3.29 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.055 -1.028 . . . . 6.4400000000000004 109.582 -179.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.55 13.48 0.14 Allowed 'Trans proline' 0 C--N 1.32 -0.94 0 C-N-CA 121.753 1.635 . . . . 4.54 110.365 -179.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' B' ' 3' ' ' LYS . 3.4 mm? -80.65 24.44 0.47 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.003 -1.061 . . . . 4.3200000000000003 109.236 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -76.64 159.86 29.88 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.251 -0.905 . . . . 2.4700000000000002 109.401 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.36 148.64 51.12 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.499 -1.441 . . . . 0.94999999999999996 109.499 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.4 140.04 57.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.207 -1.173 . . . . 1.6100000000000001 109.751 -179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -98.14 147.09 24.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.477 -0.764 . . . . 0.56999999999999995 109.53 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -135.82 141.27 44.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.342 -0.849 . . . . 0.53000000000000003 109.736 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.4 p -90.85 152.13 20.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.25 -0.906 . . . . 0.38 109.022 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 tp -145.21 132.53 20.61 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.156 -0.965 . . . . 0.35999999999999999 109.327 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -83.95 127.92 34.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.337 -0.852 . . . . 1.3600000000000001 109.08 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -120.02 120.55 63.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.526 -0.734 . . . . 0.48999999999999999 109.735 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.33 144.15 44.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.443 -0.786 . . . . 2.1000000000000001 110.409 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.74 123.95 0.84 Allowed Glycine 0 N--CA 1.495 2.627 0 C-N-CA 120.437 -0.887 . . . . 0.44 110.924 178.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.605 ' NH1' ' CD2' ' B' ' 20' ' ' PHE . 27.0 tpt180 -64.99 -40.4 94.9 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.421 -1.046 . . . . 2.7200000000000002 109.352 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.54 -43.33 97.32 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.148 -0.97 . . . . 2.21 108.947 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.41 -39.98 89.34 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.409 -0.807 . . . . 2.79 109.009 179.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.605 ' CD2' ' NH1' ' B' ' 17' ' ' ARG . 49.9 t80 -59.22 -49.14 79.0 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.413 -0.804 . . . . 0.45000000000000001 109.32 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.89 -40.21 87.96 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.135 -0.978 . . . . 1.6799999999999999 108.81 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' C' ' 22' ' ' MET . 62.6 ttp -62.91 -50.13 72.05 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.356 -0.84 . . . . 0.42999999999999999 109.454 179.498 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.78 -40.34 96.99 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.239 -0.913 . . . . 0.28000000000000003 109.229 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -59.02 -43.69 91.6 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.344 -0.848 . . . . 2.52 108.743 -179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.04 -46.37 89.75 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.316 -0.865 . . . . 1.75 108.992 179.31 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.07 -43.06 99.63 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.255 -0.903 . . . . 0.31 109.26 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.93 -50.06 75.25 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.265 -0.897 . . . . 1.21 109.161 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.77 -39.94 93.4 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.593 -0.692 . . . . 1.6899999999999999 109.376 179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -59.44 -50.21 74.8 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.303 -0.873 . . . . 0.27000000000000002 109.686 -179.309 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 90.8 mt -61.05 -43.87 98.24 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.09 -1.006 . . . . 0.29999999999999999 109.207 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.46 -40.09 89.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.268 -0.895 . . . . 1.9299999999999999 109.629 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.568 HD11 HE22 ' A' ' 36' ' ' GLN . 59.4 tp -60.08 -48.73 80.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.874 . . . . 0.40000000000000002 108.938 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -60.02 -40.01 87.83 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 1.5900000000000001 109.451 179.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' D' ' 19' ' ' ARG . 96.2 m-20 -59.9 -40.05 87.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.383 -0.823 . . . . 1.4299999999999999 109.677 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.06 93.69 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.056 -1.028 . . . . 0.65000000000000002 109.641 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.595 HE22 HD11 ' A' ' 32' ' ' LEU . 79.2 mt-30 -81.3 -10.12 59.63 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.15 -0.969 . . . . 1.1899999999999999 109.784 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 -9.53 58.66 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.242 -0.911 . . . . 1.22 110.235 -179.485 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.25 -1.38 85.71 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.828 -1.309 . . . . 1.53 109.828 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -87.2 139.85 30.14 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.174 -1.192 . . . . 4.21 109.431 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.05 150.8 37.99 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.191 -0.943 . . . . 5.6799999999999997 109.318 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -54.98 154.9 20.15 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 121.175 1.25 . . . . 5.5700000000000003 109.977 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.345 -1.502 . . . . 7.2000000000000002 109.345 -179.852 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 67.1 mttm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.139 -0.689 . . . . 8.9600000000000009 109.139 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 68.9 mttm 49.89 -139.89 0.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.267 -0.896 . . . . 8.1500000000000004 109.048 -179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' C' ' 5' ' ' LEU . 62.8 tttm 52.34 68.22 3.31 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 120.92 -1.113 . . . . 7.1500000000000004 109.569 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 4' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -66.5 13.77 0.13 Allowed 'Trans proline' 0 C--N 1.32 -0.953 0 C-N-CA 121.703 1.602 . . . . 4.3499999999999996 110.276 -179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.504 ' H ' ' C ' ' C' ' 3' ' ' LYS . 3.4 mm? -80.64 24.49 0.47 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.112 -0.992 . . . . 4.6299999999999999 109.185 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -76.66 160.08 29.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 2.8500000000000001 109.353 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.38 148.47 51.3 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.366 -1.493 . . . . 1.1200000000000001 109.366 -179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 140.03 57.2 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -1.124 . . . . 2.1099999999999999 109.911 -179.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.27 146.77 25.31 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.488 -0.758 . . . . 0.64000000000000001 109.695 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.86 140.5 44.2 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.321 -0.862 . . . . 0.48999999999999999 109.952 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 46.3 p -89.61 151.58 21.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.384 -0.822 . . . . 0.46999999999999997 109.078 179.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 tp -144.87 131.79 20.24 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.195 -0.941 . . . . 0.41999999999999998 109.193 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -83.16 128.47 34.52 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.376 -0.827 . . . . 1.8100000000000001 109.048 179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 85.8 mt -120.63 121.4 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.518 -0.739 . . . . 0.41999999999999998 109.82 -179.296 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -75.2 143.08 43.35 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.44 -0.787 . . . . 2.3500000000000001 110.652 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.23 124.89 0.98 Allowed Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.752 -0.939 . . . . 0.40999999999999998 110.752 178.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . 0.578 ' NH1' ' CD2' ' C' ' 20' ' ' PHE . 27.0 tpt180 -65.18 -40.65 94.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.306 -1.114 . . . . 2.5899999999999999 109.385 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.05 -43.52 95.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.169 -0.957 . . . . 2.54 109.109 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.44 -39.98 89.44 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.313 -0.867 . . . . 3.3900000000000001 109.144 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.578 ' CD2' ' NH1' ' C' ' 17' ' ' ARG . 48.1 t80 -59.37 -48.91 79.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.35 -0.844 . . . . 0.46999999999999997 109.372 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.91 -40.32 88.45 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.11 -0.994 . . . . 1.6599999999999999 108.77 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 22' ' ' MET . . . . . 0.462 ' SD ' ' SD ' ' B' ' 22' ' ' MET . 62.6 ttp -63.03 -50.1 72.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.446 -0.784 . . . . 0.60999999999999999 109.447 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 23' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -62.32 -40.55 96.72 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.458 -0.776 . . . . 0.33000000000000002 109.28 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -58.95 -43.4 91.27 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.273 -0.892 . . . . 3.2799999999999998 108.999 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.06 -46.56 89.16 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.402 -0.811 . . . . 1.78 108.855 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -62.8 -43.4 98.9 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.349 -0.845 . . . . 0.38 109.404 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.96 -49.93 75.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.286 -0.884 . . . . 1.2 109.054 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.13 -39.93 94.23 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.466 -0.771 . . . . 2.1200000000000001 109.442 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' D' ' 29' ' ' ALA . . . -59.22 -50.05 75.51 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.286 -0.884 . . . . 0.26000000000000001 109.649 -179.406 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.61 -43.67 98.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.086 -1.009 . . . . 0.40000000000000002 109.054 179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.288 -0.883 . . . . 2.0899999999999999 109.746 179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.586 HD11 HE22 ' D' ' 36' ' ' GLN . 58.7 tp -60.08 -48.97 79.49 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.353 -0.842 . . . . 0.75 109.067 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -59.95 -40.1 87.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.552 -0.717 . . . . 2.1899999999999999 109.319 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -59.61 -40.0 86.06 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.386 -0.821 . . . . 1.3400000000000001 109.898 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.19 94.6 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.71999999999999997 109.619 -179.738 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 36' ' ' GLN . . . . . 0.534 HE22 HD11 ' D' ' 32' ' ' LEU . 79.3 mt-30 -81.31 -10.01 59.65 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.279 -0.888 . . . . 1.8 109.639 -179.725 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.28 -9.45 58.5 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.249 -0.907 . . . . 1.3899999999999999 110.024 -179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.34 85.09 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 110.002 -1.239 . . . . 1.6599999999999999 110.002 -179.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 39' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -86.62 139.35 30.89 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.167 -1.196 . . . . 4.4500000000000002 109.666 -179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -56.57 150.91 32.76 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.208 -0.933 . . . . 6.1900000000000004 109.073 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -55.14 155.38 19.44 Favored 'Trans proline' 0 C--N 1.324 -0.76 0 C-N-CA 121.093 1.195 . . . . 5.5800000000000001 109.97 179.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 CA-C-O 118.015 -1.436 . . . . 6.9000000000000004 109.627 179.884 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.4 -0.593 . . . . 7.3600000000000003 109.4 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 50.02 -140.04 0.82 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.181 -0.95 . . . . 7.1500000000000004 109.071 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' D' ' 5' ' ' LEU . 62.9 tttm 52.18 68.05 3.49 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 120.938 -1.101 . . . . 6.5 109.558 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 4' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -66.37 14.3 0.12 Allowed 'Trans proline' 0 C--N 1.32 -0.936 0 C-N-CA 121.75 1.633 . . . . 4.5 110.228 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 5' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' D' ' 3' ' ' LYS . 3.4 mm? -81.35 24.73 0.53 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.094 -1.004 . . . . 4.3200000000000003 109.207 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -76.81 160.28 29.4 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.392 -0.817 . . . . 2.46 109.314 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.62 148.62 51.27 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.366 -1.494 . . . . 0.96999999999999997 109.366 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.16 139.89 57.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.311 -1.111 . . . . 1.6699999999999999 109.936 -179.516 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 9' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -98.05 146.96 25.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.557 -0.715 . . . . 0.60999999999999999 109.723 -179.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -135.85 141.29 44.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.397 -0.814 . . . . 0.56000000000000005 109.705 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 46.0 p -91.05 151.85 20.87 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.368 -0.832 . . . . 0.42999999999999999 108.989 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 60.7 tp -144.65 132.5 21.3 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.235 -0.916 . . . . 0.34999999999999998 109.301 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -83.78 128.0 34.21 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.169 -0.957 . . . . 1.3700000000000001 108.87 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -120.12 121.02 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.548 -0.72 . . . . 0.47999999999999998 109.613 -179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -74.53 143.53 44.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.406 -0.808 . . . . 2.0800000000000001 110.381 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.17 123.78 0.89 Allowed Glycine 0 N--CA 1.494 2.522 0 O-C-N 121.232 -0.918 . . . . 0.40000000000000002 110.852 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 17' ' ' ARG . . . . . 0.569 ' NH1' ' CD2' ' D' ' 20' ' ' PHE . 27.1 tpt180 -64.72 -41.01 96.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.461 -1.023 . . . . 2.6400000000000001 109.367 179.225 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 18' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.01 -43.2 95.37 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.125 -0.984 . . . . 2.2200000000000002 109.245 179.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 19' ' ' ARG . . . . . 0.461 ' NH2' ' OD2' ' B' ' 34' ' ' ASP . 42.0 ttm180 -60.73 -40.03 90.83 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.36 -0.837 . . . . 2.7400000000000002 109.017 179.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.569 ' CD2' ' NH1' ' D' ' 17' ' ' ARG . 45.9 t80 -59.39 -48.96 79.67 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.344 -0.847 . . . . 0.42999999999999999 109.235 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -59.92 -40.28 88.32 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.001 -1.062 . . . . 1.6899999999999999 108.592 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 22' ' ' MET . . . . . . . . . . . . . 61.6 ttp -62.81 -50.0 72.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.377 -0.827 . . . . 0.42999999999999999 109.474 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 23' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.79 -40.38 97.14 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.444 -0.785 . . . . 0.27000000000000002 109.305 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -59.23 -43.46 92.36 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.294 -0.879 . . . . 2.4500000000000002 108.86 -179.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.96 -46.16 90.32 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.291 -0.881 . . . . 1.75 108.997 179.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.43 -43.32 97.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.293 -0.88 . . . . 0.31 109.342 179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.97 -50.01 75.41 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.301 -0.874 . . . . 1.22 109.002 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.11 -39.9 94.09 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.37 -0.831 . . . . 1.73 109.452 179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' C' ' 29' ' ' ALA . . . -59.08 -49.99 75.79 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.311 -0.868 . . . . 0.28000000000000003 109.582 -179.45 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.49 -43.79 98.25 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.054 -1.029 . . . . 0.31 109.15 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.52 -40.06 90.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 1.9099999999999999 109.637 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 32' ' ' LEU . . . . . 0.534 HD11 HE22 ' C' ' 36' ' ' GLN . 58.9 tp -59.96 -48.91 79.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.251 -0.906 . . . . 0.42999999999999999 109.052 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -59.96 -39.97 87.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.397 -0.814 . . . . 1.5700000000000001 109.465 179.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 34' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.87 -40.04 87.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.322 -0.861 . . . . 1.4399999999999999 109.936 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.01 92.67 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.64000000000000001 109.329 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 36' ' ' GLN . . . . . 0.586 HE22 HD11 ' C' ' 32' ' ' LEU . 78.8 mt-30 -81.87 -9.95 59.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.267 -0.896 . . . . 1.21 109.827 -179.643 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.44 -9.78 58.97 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.123 -0.985 . . . . 1.22 109.998 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.57 -3.13 82.61 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.94 -1.264 . . . . 1.5 109.94 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 39' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -85.83 142.64 28.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.125 -1.221 . . . . 4.1799999999999997 109.596 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 40' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' D' ' 40' ' ' GLU . 6.6 pt-20 -59.96 150.33 69.92 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.363 -0.835 . . . . 5.6699999999999999 108.966 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 41' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -54.57 154.29 20.58 Favored 'Trans proline' 0 C--N 1.324 -0.747 0 C-N-CA 121.062 1.175 . . . . 5.6500000000000004 109.844 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.388 -1.485 . . . . 7.2699999999999996 109.388 -179.906 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_