data_1hs5_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 1hs5 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 50.8 p90 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.27 0.557 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 4' ' ' TYR . 23.0 m-85 -145.36 170.17 16.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.067 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.4 t -152.0 137.9 18.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.156 -0.965 . . . . 0.0 110.478 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.64 144.41 48.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.11 143.57 51.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.0 110.413 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.1 mp -140.62 145.6 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 110.146 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.22 20.68 18.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 0.0 110.166 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.466 ' HA3' ' CD ' ' A' ' 14' ' ' ARG . . . -127.74 130.37 6.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -76.66 -34.2 58.28 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -1.175 . . . . 0.0 110.34 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.24 -35.19 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.893 . . . . 0.0 110.545 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' CD ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -83.17 -44.98 14.45 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.588 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 19' ' ' ARG . 82.9 t80 -48.5 -51.89 25.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.459 -0.776 . . . . 0.0 110.04 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.6 mm-40 -43.69 -37.35 2.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.644 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.451 ' OE1' HD23 ' B' ' 25' ' ' LEU . 2.7 mm-40 -68.32 -51.06 48.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -0.805 . . . . 0.0 110.134 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 95.6 m-85 -65.5 -58.15 6.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 9.1 tpt180 -42.92 -65.28 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.141 -0.974 . . . . 0.0 109.919 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.61 -43.56 46.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -64.47 -42.16 96.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.572 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.559 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 50.4 t30 -45.89 -45.3 15.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.349 -0.845 . . . . 0.0 109.451 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.58 -46.06 77.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.469 -0.77 . . . . 0.0 109.815 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.26 19.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 109.966 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -59.45 -39.62 84.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 0.0 109.79 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -51.38 -39.66 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.482 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.26 -34.35 63.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.086 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 7.0 tptt -52.76 -51.95 58.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -76.33 -57.14 4.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.23 -26.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.262 -0.899 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' B' ' 5' ' ' PHE . 50.9 p90 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.296 0.57 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' B' ' 4' ' ' TYR . 23.2 m-85 -145.38 170.23 16.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.925 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 t -151.99 138.04 18.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.98 . . . . 0.0 110.433 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.81 144.3 48.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.285 -0.885 . . . . 0.0 109.957 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -126.96 143.47 51.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.154 -0.966 . . . . 0.0 110.461 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.1 mp -140.62 145.21 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.061 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.41 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 5.5 ptm180 -107.81 20.66 18.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.473 ' HA3' ' CD ' ' B' ' 14' ' ' ARG . . . -127.47 130.06 6.66 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt-85 -76.56 -34.43 58.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -1.161 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.52 -36.07 77.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 110.197 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.473 ' CD ' ' HA3' ' B' ' 11' ' ' GLY . 0.0 OUTLIER -82.38 -45.61 14.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.928 . . . . 0.0 110.035 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.49 ' CZ ' ' HD3' ' B' ' 19' ' ' ARG . 81.3 t80 -47.9 -52.43 19.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 15' ' ' PHE . 6.7 mm-40 -43.16 -37.39 2.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.757 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.62 -50.95 47.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.2 m-85 -66.17 -57.1 8.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.877 . . . . 0.0 110.239 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.49 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 9.2 tpt180 -43.75 -64.9 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.179 -0.95 . . . . 0.0 109.715 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.93 -43.48 49.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.459 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -64.12 -41.67 97.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 0.0 109.556 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 52.0 t30 -46.25 -44.4 16.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.314 -0.866 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.0 -44.85 75.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.3 17.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.833 . . . . 0.0 109.925 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -59.53 -39.54 84.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -51.75 -37.75 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.17 -33.79 59.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 109.938 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 6.7 tptt -52.99 -51.8 60.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.017 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' GLN . 0.2 OUTLIER -76.7 -56.84 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.897 . . . . 0.0 110.201 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.6 -27.22 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.299 -0.876 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' B' ' 29' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' B' ' 10' ' ' ARG . 1.4 m-85 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.304 0.573 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 23.7 m-85 -119.48 154.65 33.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 4.8 m -148.07 155.49 41.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.34 149.18 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.879 . . . . 0.0 110.234 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 30.9 mt-30 -127.1 133.09 50.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.895 . . . . 0.0 110.107 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.69 158.94 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.333 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -115.69 37.76 3.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.097 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.74 141.88 8.12 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HB2' ' CZ ' ' B' ' 5' ' ' PHE . 66.5 ttt180 -81.89 -30.97 31.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -1.149 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.69 -35.68 81.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 110.372 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.25 -45.05 14.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.159 -0.963 . . . . 0.0 109.548 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CG ' ' HB3' ' B' ' 5' ' ' PHE . 56.0 t80 -61.21 -49.4 77.3 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.362 -0.836 . . . . 0.0 110.034 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.8 mm-40 -43.28 -39.67 3.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 0.0 109.775 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -67.59 -45.8 74.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 14.1 m-30 -64.14 -51.0 65.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.279 -0.888 . . . . 0.0 110.143 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.1 ttt-85 -46.81 -63.54 1.0 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.72 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -49.03 -42.7 39.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.522 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.5 mtt180 -64.06 -44.77 91.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 0.0 109.693 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 1.8 t-20 -43.97 -46.84 8.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.28 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -53.1 60.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 109.512 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.13 -54.35 48.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.315 -0.865 . . . . 0.0 109.602 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' B' ' 18' ' ' PHE . 3.2 mm? -50.38 -45.47 55.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.323 -0.861 . . . . 0.0 109.553 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.24 -46.93 36.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.352 -0.842 . . . . 0.0 109.545 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.8 tp -73.18 -36.6 66.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.878 . . . . 0.0 109.976 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 10.6 tptp -50.68 -54.78 20.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -32.43 68.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 110.23 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.93 0.07 16.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.167 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 110.222 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 10' ' ' ARG . 1.3 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.197 0.522 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 23.3 m-85 -119.84 154.38 34.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.267 -0.896 . . . . 0.0 110.157 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 5.2 m -147.94 155.41 41.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.21 -0.931 . . . . 0.0 110.244 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.29 149.08 42.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.235 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 30.8 mt-30 -126.96 133.16 50.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.79 158.83 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.528 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -115.61 37.7 3.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.65 141.81 8.08 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 66.5 ttt180 -81.84 -31.64 31.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.179 -1.189 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.82 -36.56 84.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.173 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -45.38 14.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 109.889 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' B' ' 16' ' ' GLU . 55.9 t80 -61.17 -49.04 78.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.985 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.8 mm-40 -43.45 -38.65 2.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.404 ' O ' ' HD2' ' B' ' 21' ' ' ARG . 1.2 mm100 -68.86 -44.88 72.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 109.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 14.5 m-30 -65.47 -49.86 67.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.939 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 12.6 ttt-85 -47.54 -62.91 1.21 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.542 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -49.77 -42.21 46.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.917 . . . . 0.0 109.556 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.58 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.5 mtt180 -64.23 -44.81 90.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.381 -0.824 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 1.8 t-20 -43.64 -46.48 7.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 109.436 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -52.87 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 109.537 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -54.45 46.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 109.642 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 18' ' ' PHE . 3.1 mm? -50.12 -45.55 52.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.66 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.48 -45.69 37.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.872 . . . . 0.0 109.672 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.7 tp -74.41 -36.68 63.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.791 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 10.4 tptp -50.51 -54.65 20.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.341 -0.849 . . . . 0.0 110.062 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -32.22 67.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.907 . . . . 0.0 110.177 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.11 17.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' B' ' 10' ' ' ARG . 33.3 p90 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.296 0.57 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.92 161.49 20.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 7' ' ' LEU . 3.4 m -140.35 162.72 34.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 110.18 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.489 ' N ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -139.15 153.03 47.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.312 -0.867 . . . . 0.0 110.1 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -127.99 124.34 36.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' B' ' 5' ' ' PHE . 2.7 mp -122.23 147.76 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 2.4 ptt180 -110.59 48.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 0.0 110.217 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.82 140.63 5.78 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' GLU . 3.9 ttp180 -79.25 -56.0 4.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -1.133 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -43.34 -38.21 2.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.181 -0.949 . . . . 0.0 110.276 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 14.0 ttp-105 -82.73 -44.79 15.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.227 -0.921 . . . . 0.0 109.191 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 15.8 t80 -60.06 -53.72 54.41 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.386 -0.821 . . . . 0.0 109.668 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.1 mm-40 -42.88 -39.7 2.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.814 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 10.7 mm-40 -61.88 -48.4 80.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.713 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 18.5 m-85 -67.18 -50.89 59.42 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.206 -0.934 . . . . 0.0 109.95 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 ttt180 -43.89 -72.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 0.0 110.023 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ARG . 51.6 mt-10 -44.63 -51.36 9.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 8.3 tpt180 -55.71 -41.37 73.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.884 . . . . 0.0 109.509 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.577 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 26.4 t-20 -47.13 -49.2 22.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.0 109.473 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 26' ' ' GLU . 73.5 tt0 -59.44 -51.53 69.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 109.611 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.62 35.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.264 -0.897 . . . . 0.0 109.774 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.499 ' HB3' ' CD ' ' B' ' 14' ' ' ARG . 2.1 mt -63.74 -29.84 71.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.867 . . . . 0.0 109.725 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 31.7 tt0 -52.72 -47.59 67.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.236 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -40.12 78.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.61 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -47.1 -52.38 15.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 179.713 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' NH1' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -67.41 -36.73 81.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 110.017 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.84 65.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 110.21 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 10' ' ' ARG . 33.2 p90 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.27 0.557 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' ILE . 64.5 m-85 -118.5 161.77 19.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.906 . . . . 0.0 110.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.495 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.2 m -140.83 162.76 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.495 ' N ' HG22 ' B' ' 6' ' ' THR . 0.6 OUTLIER -139.06 153.44 48.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 110.164 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.43 123.93 34.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 0.0 110.327 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.413 HG22 ' HG2' ' B' ' 14' ' ' ARG . 2.7 mp -122.02 147.6 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.127 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.415 ' HA ' ' HB2' ' A' ' 4' ' ' TYR . 2.4 ptt180 -110.4 49.11 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.229 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.79 140.58 5.76 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.0 ttp180 -79.37 -56.05 4.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -43.09 -40.28 3.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.499 ' CD ' ' HB3' ' A' ' 25' ' ' LEU . 13.8 ttp-105 -80.5 -44.97 18.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.0 109.626 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.468 ' CZ ' ' HD2' ' B' ' 19' ' ' ARG . 15.1 t80 -60.56 -52.99 62.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.908 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.0 mm-40 -43.19 -39.19 2.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.373 -0.829 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 10.7 mm-40 -62.05 -48.35 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 0.0 109.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 20.2 m-85 -68.15 -49.4 61.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 109.856 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.468 ' HD2' ' CZ ' ' B' ' 15' ' ' PHE . 1.1 ttt180 -44.74 -72.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 109.701 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 19' ' ' ARG . 51.4 mt-10 -45.01 -51.24 10.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 8.1 tpt180 -55.71 -41.1 73.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.605 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 25.3 t-20 -47.08 -49.03 22.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.593 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' B' ' 26' ' ' GLU . 73.2 tt0 -59.8 -50.88 72.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.375 -0.828 . . . . 0.0 109.626 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.96 47.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 109.782 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.471 ' HB3' ' CD ' ' A' ' 14' ' ' ARG . 2.1 mt -64.34 -29.62 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.0 109.737 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' B' ' 23' ' ' GLU . 32.0 tt0 -53.05 -46.78 68.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.188 -0.945 . . . . 0.0 109.366 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -39.65 75.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.574 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -47.3 -52.47 16.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.0 109.812 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -67.47 -36.5 81.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 110.086 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.72 65.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.053 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 p90 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.76 164.29 22.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 7' ' ' LEU . 65.7 m -152.51 150.42 29.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.424 ' N ' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 3.0 mt-30 -122.62 134.25 54.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.0 110.298 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.17 158.25 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.113 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -9.86 9.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.109 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.1 141.28 16.14 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -82.76 -32.95 27.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -56.46 -43.25 79.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 0.0 110.448 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 2.8 ptm180 -82.74 -37.76 24.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.599 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 65.8 t80 -56.6 -50.89 70.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.288 -0.882 . . . . 0.0 109.575 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.86 -38.89 4.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.0 109.617 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 2.8 mm-40 -63.46 -46.99 83.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.845 . . . . 0.0 109.706 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 15.0 m-30 -67.48 -51.5 50.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.6 tpt85 -42.48 -65.97 0.41 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.175 -0.953 . . . . 0.0 109.994 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.57 -36.28 44.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.523 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.1 OUTLIER -64.36 -51.04 65.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.376 -0.827 . . . . 0.0 109.63 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ARG . 6.0 t-20 -44.56 -49.65 10.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.282 -0.886 . . . . 0.0 109.483 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.11 -56.52 17.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.82 . . . . 0.0 109.778 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.01 79.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 109.903 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 14' ' ' ARG . 2.7 mm? -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.823 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.96 -50.0 58.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 0.0 109.811 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.46 -32.38 69.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.94 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -59.7 -40.22 87.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.909 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -77.59 -47.61 18.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 110.072 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.15 -28.94 2.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.219 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.263 0.554 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -127.72 164.31 22.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.151 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 7' ' ' LEU . 63.8 m -152.43 150.41 29.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 110.301 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.424 ' N ' HG22 ' B' ' 6' ' ' THR . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -0.879 . . . . 0.0 110.049 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.58 134.34 54.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.176 -0.953 . . . . 0.0 110.361 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.25 158.11 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.93 -9.6 10.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 0.0 110.164 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.26 141.42 16.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -82.86 -33.53 27.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.69 -44.98 77.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 110.139 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 2.7 ptm180 -81.0 -38.19 27.96 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.963 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.446 ' N ' ' CG ' ' B' ' 14' ' ' ARG . 65.1 t80 -56.29 -50.81 70.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.151 -0.968 . . . . 0.0 109.694 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 15' ' ' PHE . 13.8 mm-40 -44.77 -38.62 4.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.262 -0.899 . . . . 0.0 109.78 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 2.8 mm-40 -63.81 -46.4 85.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 15.1 m-30 -68.8 -49.81 55.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 110.002 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.4 tpt85 -43.64 -65.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.814 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.25 -35.51 50.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.56 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -64.95 -50.76 65.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 0.0 109.645 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 21' ' ' ARG . 5.9 t-20 -44.77 -49.55 10.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.529 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.24 -56.37 19.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.388 -0.82 . . . . 0.0 109.748 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.19 78.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 109.793 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.97 -38.09 87.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -51.16 -49.52 60.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.322 -0.861 . . . . 0.0 109.875 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.01 -32.21 68.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 0.0 109.84 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -59.71 -40.11 86.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.419 ' OD1' ' HB3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -77.77 -47.6 18.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.124 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.85 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 110.122 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.172 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 5.9 p90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.199 0.523 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.415 ' HB3' ' CD2' ' B' ' 15' ' ' PHE . 40.6 m-85 -118.85 178.88 4.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 110.213 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 98.6 m -157.49 155.7 30.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.21 163.23 31.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 110.244 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 24.8 mt-30 -136.36 133.83 37.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 110.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' B' ' 4' ' ' TYR . 3.2 mp -118.63 163.59 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -0.95 . . . . 0.0 110.106 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -128.44 -0.04 5.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.262 -0.899 . . . . 0.0 110.383 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.32 143.89 15.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -75.39 -39.42 59.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -1.145 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -53.5 -40.48 65.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 4.2 mtp180 -83.08 -47.28 11.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 109.286 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 19' ' ' ARG . 50.6 t80 -47.86 -48.01 31.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 1.2 mm-40 -44.98 -39.72 5.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.347 -0.846 . . . . 0.0 109.587 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -66.28 -48.51 70.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.7 m-85 -63.02 -59.1 5.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.283 -0.886 . . . . 0.0 110.182 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 12.1 tpt85 -43.33 -69.17 0.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.12 -0.987 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' ARG . 7.3 tt0 -43.8 -41.45 5.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.609 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.1 mpt_? -67.29 -43.75 80.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.341 -0.85 . . . . 0.0 109.657 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 6.9 t-20 -44.71 -41.54 6.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.852 . . . . 0.0 109.465 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.55 -50.2 14.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.74 79.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.838 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.9 mm? -60.12 -41.11 91.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.839 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.44 -46.85 56.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.736 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.55 -35.98 63.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 109.939 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.8 tptt -47.87 -46.73 31.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 0.0 110.077 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.11 -30.0 31.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.68 -8.04 55.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -0.86 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.304 -0.872 . . . . 0.0 110.251 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 6.3 p90 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.253 0.549 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.477 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 40.2 m-85 -118.37 179.37 4.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.256 -0.903 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 94.7 m -158.15 156.02 30.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.142 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.46 163.2 31.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.344 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 24.5 mt-30 -136.3 132.56 35.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.879 . . . . 0.0 110.171 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 3.2 mp -117.32 163.69 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.263 -0.898 . . . . 0.0 110.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -128.63 0.37 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 110.403 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.9 143.67 15.24 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -75.09 -40.09 60.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -1.102 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.53 -42.15 64.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.216 -0.928 . . . . 0.0 109.96 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 4.1 mtp180 -81.43 -48.27 12.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 0.0 109.677 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.506 ' CZ ' ' HD3' ' B' ' 19' ' ' ARG . 51.7 t80 -47.06 -47.72 22.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.08 -39.14 5.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.699 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 0.0 OUTLIER -66.95 -48.66 67.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.95 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.5 m-85 -62.83 -58.68 6.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 110.049 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 12.1 tpt85 -44.05 -69.06 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 19' ' ' ARG . 7.3 tt0 -43.94 -41.33 5.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.669 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.567 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.1 mpt_? -67.09 -43.47 82.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.0 109.716 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 6.7 t-20 -44.89 -41.21 6.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.618 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -77.02 -50.63 12.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 0.0 109.761 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.87 78.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.86 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.495 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 3.9 mm? -60.07 -41.1 91.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.45 -46.09 56.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.937 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -35.74 61.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.87 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.7 tptt -48.05 -46.2 33.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.294 -0.878 . . . . 0.0 109.994 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.83 -29.6 29.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.15 -8.09 56.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 110.238 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.239 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.272 0.558 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ILE . 97.9 m-85 -122.7 176.72 5.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 7' ' ' LEU . 11.3 m -153.91 163.84 39.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.287 -0.883 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.43 ' O ' HG22 ' B' ' 6' ' ' THR . 2.6 mt -150.89 167.18 28.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.288 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.36 132.87 47.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 110.129 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.514 HD11 ' CG ' ' A' ' 18' ' ' PHE . 5.2 mt -119.57 157.83 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' N ' HG23 ' A' ' 9' ' ' ILE . 16.8 ttt180 -136.86 89.64 2.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 110.222 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.93 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.75 -50.86 7.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -1.149 . . . . 0.0 110.233 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 12' ' ' ARG . 1.4 mt-10 -42.6 -43.81 3.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.89 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.526 ' CB ' HD13 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -82.58 -38.58 23.44 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.225 -0.922 . . . . 0.0 109.331 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -53.52 -48.13 69.31 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.334 -0.854 . . . . 0.0 109.461 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -45.66 -34.16 3.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.855 . . . . 0.0 109.2 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 54.2 mm-40 -69.35 -46.92 65.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.514 ' CG ' HD11 ' A' ' 9' ' ' ILE . 96.3 m-85 -69.58 -57.45 5.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.863 . . . . 0.0 109.951 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.4 tpt180 -42.83 -64.04 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.763 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -47.94 -44.02 29.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.2 OUTLIER -61.05 -37.1 81.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 0.0 109.468 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.0 t-20 -54.92 -58.86 5.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.384 -0.822 . . . . 0.0 109.561 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.51 -40.2 36.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.34 80.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.434 -0.791 . . . . 0.0 109.511 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.519 HD13 ' CB ' ' B' ' 14' ' ' ARG . 0.8 OUTLIER -51.06 -43.94 61.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.0 109.34 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.7 tt0 -54.62 -53.53 53.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.361 -0.837 . . . . 0.0 109.723 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.41 -34.95 70.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -0.848 . . . . 0.0 109.894 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 15.6 tppt? -58.79 -35.02 72.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 109.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.56 -52.52 11.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 0.0 110.041 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.74 -8.64 37.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.202 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 52.4 p90 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.355 0.598 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' ILE . 98.0 m-85 -122.67 176.55 5.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 0.0 110.204 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 7' ' ' LEU . 11.0 m -153.76 163.78 39.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 6' ' ' THR . 2.6 mt -150.82 167.06 28.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.27 132.62 47.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.281 -0.887 . . . . 0.0 110.11 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.516 HD11 ' CG ' ' B' ' 18' ' ' PHE . 5.2 mt -119.45 157.71 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.273 -0.892 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.461 ' N ' HG23 ' B' ' 9' ' ' ILE . 16.9 ttt180 -136.76 89.89 2.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.158 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' B' ' 12' ' ' ARG . . . 138.91 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -43.79 -50.8 7.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -1.173 . . . . 0.0 110.22 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 12' ' ' ARG . 1.4 mt-10 -42.61 -45.36 4.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.519 ' CB ' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -80.79 -38.85 27.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.73 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 67.2 t80 -53.37 -48.14 68.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.8 mm-40 -45.43 -33.63 2.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 0.0 109.419 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 54.1 mm-40 -69.96 -46.76 64.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.405 -0.809 . . . . 0.0 109.619 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.516 ' CG ' HD11 ' B' ' 9' ' ' ILE . 94.9 m-85 -70.03 -56.59 6.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.824 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.3 tpt180 -43.67 -63.89 0.76 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 109.63 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -48.14 -43.58 31.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.28 -0.888 . . . . 0.0 109.18 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.47 ' HG2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.71 -36.82 82.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 109.45 179.317 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -54.67 -59.14 5.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.545 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -40.15 33.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.293 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.89 -46.95 81.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.498 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.526 HD13 ' CB ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -51.35 -43.31 61.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 179.316 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.488 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.7 tt0 -55.28 -53.18 59.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.387 -0.82 . . . . 0.0 109.618 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.77 -34.77 69.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.748 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' B' ' 28' ' ' LYS . 15.4 tppt? -58.95 -34.79 72.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.9 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.97 -52.65 10.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -0.833 . . . . 0.0 109.994 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.67 36.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 110.222 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 110.225 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.253 0.549 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -119.21 -174.9 2.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.4 m -157.42 153.34 27.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.536 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -142.65 155.82 44.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.911 . . . . 0.0 110.22 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -118.67 140.08 50.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.2 mm -120.99 168.26 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.286 -0.884 . . . . 0.0 110.306 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -149.34 29.69 0.78 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 0.0 110.316 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.09 115.1 0.64 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 9.2 ttp180 -62.42 -30.12 70.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 110.212 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -58.06 -55.05 40.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 15' ' ' PHE . 17.6 ptt180 -82.6 -34.22 27.72 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.2 -0.937 . . . . 0.0 109.514 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.566 ' CE1' ' CD1' ' B' ' 7' ' ' LEU . 82.9 t80 -54.9 -55.49 30.01 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.315 -0.866 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.0 mm-40 -43.58 -35.18 1.62 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.815 . . . . 0.0 109.659 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 17.8 mt-30 -67.47 -42.97 82.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.906 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -74.92 -54.5 7.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.312 -0.867 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 58.9 ttt180 -44.85 -63.11 0.99 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.151 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -52.62 -46.47 67.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.4 mmt180 -65.68 -42.9 90.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.93 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 5.1 t-20 -44.53 -48.46 10.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.74 -51.67 63.87 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.419 -0.801 . . . . 0.0 109.358 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.55 -47.88 80.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.372 -0.83 . . . . 0.0 109.204 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 1.1 mm? -61.57 -38.44 87.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.378 -0.826 . . . . 0.0 109.292 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.26 -43.85 43.26 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.35 -0.843 . . . . 0.0 109.236 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' GLN . 2.0 tp -69.21 -36.61 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.383 -0.823 . . . . 0.0 109.872 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 3.6 tptp -56.25 -53.51 56.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.062 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' ALA . 1.3 m-20 -72.4 -66.31 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 0.0 110.154 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.77 -31.82 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 0.0 110.184 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' LEU . 70.3 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 110.017 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.233 0.54 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -119.6 -174.81 2.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 55.7 m -157.4 153.5 27.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.1 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.566 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -142.99 154.83 44.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -117.64 140.64 49.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 15.2 mm -121.41 168.2 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 110.227 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.451 ' HG2' ' CZ ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -149.21 29.71 0.79 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 110.276 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.18 114.89 0.63 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.456 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 9.3 ttp180 -62.09 -30.91 71.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -1.124 . . . . 0.0 110.124 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.14 -57.11 14.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.903 . . . . 0.0 110.016 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' B' ' 15' ' ' PHE . 17.4 ptt180 -80.43 -34.61 35.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -0.931 . . . . 0.0 109.893 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.536 ' CE1' ' CD1' ' A' ' 7' ' ' LEU . 83.6 t80 -54.48 -55.81 25.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.822 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.23 -34.76 1.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.831 . . . . 0.0 109.885 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 17.9 mt-30 -68.09 -42.0 81.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.0 109.965 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.63 -52.76 9.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.0 110.0 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 58.1 ttt180 -46.09 -62.37 1.36 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 110.038 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -53.44 -45.94 69.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' ASN . 13.4 mmt180 -65.87 -43.11 89.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 5.2 t-20 -44.53 -48.33 10.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.331 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.88 -51.63 63.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.27 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.8 81.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.29 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 1.1 mm? -61.75 -38.1 86.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.401 -0.812 . . . . 0.0 109.366 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.67 -42.29 45.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.281 -0.887 . . . . 0.0 109.421 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' B' ' 31' ' ' GLN . 2.0 tp -70.71 -36.21 73.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.397 -0.814 . . . . 0.0 109.699 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 3.3 tptp -56.42 -53.08 61.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 0.0 110.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' B' ' 30' ' ' ALA . 1.3 m-20 -73.04 -66.34 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.221 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.81 -31.64 0.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' B' ' 27' ' ' LEU . 70.0 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.881 . . . . 0.0 110.119 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 51.1 p90 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.251 0.548 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' B' ' 12' ' ' ARG . 61.1 m-85 -120.85 165.58 14.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.946 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 ' O ' ' B' ' 7' ' ' LEU . 3.7 m -156.69 153.79 29.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.918 . . . . 0.0 110.163 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 19' ' ' ARG . 1.3 mt -140.79 148.02 39.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 110.191 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.52 134.6 55.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.469 HG22 ' NH2' ' A' ' 14' ' ' ARG . 2.9 mp -120.47 153.48 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 110.186 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -107.57 -9.37 15.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.235 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.432 ' HA3' ' HD3' ' A' ' 14' ' ' ARG . . . -114.74 123.46 6.01 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' B' ' 5' ' ' PHE . 42.3 ttt180 -62.27 -47.24 85.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -1.168 . . . . 0.0 110.204 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.04 -33.78 2.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' NH2' HG22 ' A' ' 9' ' ' ILE . 20.1 mtp180 -82.75 -40.27 20.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.416 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 73.6 t80 -61.86 -50.25 73.01 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.441 -0.787 . . . . 0.0 110.0 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.4 mm-40 -43.52 -39.83 3.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.71 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -66.84 -46.0 76.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.342 -0.849 . . . . 0.0 109.911 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 10.1 m-30 -68.32 -53.14 26.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.892 . . . . 0.0 110.233 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.481 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 29.5 tpt180 -43.24 -58.11 2.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.168 -0.957 . . . . 0.0 109.8 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.79 -42.15 64.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.596 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.55 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -63.55 -48.12 78.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 0.0 109.809 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.472 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 20.7 t-20 -43.0 -51.95 5.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.873 . . . . 0.0 109.754 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.51 -50.5 72.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.21 66.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.891 . . . . 0.0 109.685 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 2.5 mm? -58.36 -35.97 72.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.3 -46.11 65.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.268 -0.895 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.86 -29.27 60.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.402 -0.812 . . . . 0.0 109.927 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -56.6 -61.72 2.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 109.967 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -27.56 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.06 -2.29 39.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.094 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.199 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 p90 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' B' ' 5' ' ' PHE . 61.9 m-85 -121.01 165.75 14.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m -156.83 153.83 28.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 6' ' ' THR . 1.3 mt -140.83 147.95 39.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 110.181 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.43 134.73 55.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.316 -0.865 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.475 HG22 ' NH2' ' B' ' 14' ' ' ARG . 2.9 mp -120.59 153.6 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 0.0 110.048 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -107.59 -10.06 15.76 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 110.203 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . 0.426 ' HA3' ' HD3' ' B' ' 14' ' ' ARG . . . -114.24 123.52 6.09 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 42.6 ttt180 -62.08 -47.81 83.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.224 -1.162 . . . . 0.0 110.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 12' ' ' ARG . 2.1 tt0 -43.98 -35.91 2.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.895 . . . . 0.0 110.018 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.475 ' NH2' HG22 ' B' ' 9' ' ' ILE . 19.7 mtp180 -80.78 -40.48 25.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.895 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' B' ' 19' ' ' ARG . 73.8 t80 -61.84 -50.05 73.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.307 -0.871 . . . . 0.0 110.027 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.35 -39.83 3.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.822 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.06 -45.9 75.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.899 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 10.0 m-30 -68.7 -52.2 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.486 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 29.5 tpt180 -44.36 -57.02 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.142 -0.974 . . . . 0.0 109.76 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.99 -41.48 67.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.675 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.57 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -63.98 -47.98 78.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.404 -0.81 . . . . 0.0 109.857 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 21' ' ' ARG . 20.8 t-20 -43.24 -51.73 6.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.349 -0.844 . . . . 0.0 109.776 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -57.52 -50.32 73.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.869 . . . . 0.0 109.613 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.23 -52.06 66.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.334 -0.854 . . . . 0.0 109.725 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 2.6 mm? -58.53 -35.47 72.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 109.639 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.63 -44.86 66.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -76.37 -28.76 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.376 -0.828 . . . . 0.0 109.789 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -57.06 -60.81 3.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.402 -0.811 . . . . 0.0 109.911 179.715 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -26.81 61.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -0.909 . . . . 0.0 110.021 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.74 -2.46 43.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 110.157 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 28' ' ' LYS . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.227 0.537 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 13.7 m-85 -135.16 161.38 35.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.312 -0.867 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -134.48 129.01 34.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.941 . . . . 0.0 110.423 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' HB3' ' B' ' 7' ' ' LEU . 1.7 tt -118.94 143.28 47.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.275 -0.891 . . . . 0.0 109.975 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -128.55 137.94 51.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.338 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.427 HD13 HD21 ' A' ' 7' ' ' LEU . 2.4 mp -130.05 151.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.118 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 12.2 ttt180 -120.58 -1.01 10.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.189 -0.945 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.85 126.74 7.63 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.41 75.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -1.17 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.05 -35.27 79.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.517 ' CB ' HD13 ' B' ' 25' ' ' LEU . 9.1 mpt_? -82.82 -40.12 20.79 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.316 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -51.03 -46.74 61.68 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.056 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.99 -37.45 4.04 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.372 -0.83 . . . . 0.0 109.005 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -65.49 -51.17 61.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.423 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' B' ' 21' ' ' ARG . 96.7 m-85 -69.43 -51.99 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 109.617 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' PHE . 2.5 tpt180 -43.1 -66.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ARG . 89.8 mt-10 -44.7 -49.57 10.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.563 ' HG3' ' CZ ' ' B' ' 18' ' ' PHE . 4.5 tpt180 -56.66 -38.2 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.389 -0.819 . . . . 0.0 109.454 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -52.54 -50.89 61.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 109.357 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -47.28 82.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 109.39 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -50.3 70.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.399 -0.813 . . . . 0.0 109.503 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -47.12 18.22 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.552 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -53.8 -52.44 60.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.808 . . . . 0.0 109.703 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -26.14 64.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.845 . . . . 0.0 109.829 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -74.85 -29.69 61.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 0.0 110.005 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.88 -44.77 30.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.984 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -17.43 4.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 109.945 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 110.146 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.316 0.579 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 13.6 m-85 -135.53 161.22 36.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -134.43 129.09 34.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.165 -0.959 . . . . 0.0 110.429 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . 1.7 tt -118.97 143.42 47.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.336 -0.853 . . . . 0.0 109.894 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -128.65 137.85 51.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.098 -1.001 . . . . 0.0 110.362 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.414 HD13 HD21 ' B' ' 7' ' ' LEU . 2.4 mp -129.86 151.79 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.902 . . . . 0.0 110.191 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' B' ' 10' ' ' ARG . 12.0 ttt180 -120.66 -0.55 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.35 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.31 126.53 7.47 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.66 -37.17 76.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -1.138 . . . . 0.0 110.155 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.16 -36.82 83.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.942 . . . . 0.0 110.042 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' B' ' 14' ' ' ARG . 9.2 mpt_? -81.06 -40.78 23.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 109.678 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' B' ' 16' ' ' GLU . 39.7 t80 -50.63 -46.86 58.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.0 109.31 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.2 mm-40 -44.53 -37.55 3.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.868 . . . . 0.0 109.282 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.46 -50.8 63.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.51 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 94.8 m-85 -70.31 -50.95 33.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.469 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' B' ' 18' ' ' PHE . 2.4 tpt180 -43.79 -66.13 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.506 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 19' ' ' ARG . 89.5 mt-10 -45.36 -49.08 13.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 4.7 tpt180 -56.92 -37.93 72.17 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.418 -0.801 . . . . 0.0 109.493 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.77 -51.09 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.357 -0.839 . . . . 0.0 109.323 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.42 -47.17 82.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.361 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.0 109.457 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.517 HD13 ' CB ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -46.33 -47.12 18.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.401 -0.812 . . . . 0.0 109.471 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.401 ' N ' HD21 ' B' ' 25' ' ' LEU . 1.2 tt0 -53.9 -52.39 60.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.81 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -26.14 64.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.333 -0.854 . . . . 0.0 109.832 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' B' ' 28' ' ' LYS . 0.7 OUTLIER -74.69 -29.89 61.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.376 -0.827 . . . . 0.0 109.996 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.507 ' OD1' ' NH1' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -76.68 -44.8 32.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.011 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -17.41 4.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.981 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 110.19 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.4 p90 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.233 0.54 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -118.88 171.96 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 109.964 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 7' ' ' LEU . 47.1 m -158.83 162.93 37.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 110.4 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 2.0 mt -147.86 165.16 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.143 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -126.72 129.83 49.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' B' ' 5' ' ' PHE . 35.7 mt -126.41 148.1 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.278 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -118.42 98.57 6.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.895 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.41 135.79 3.64 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.1 -21.0 33.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -1.127 . . . . 0.0 110.26 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -61.47 -48.02 83.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 8.6 ptm180 -83.39 -40.7 19.04 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 109.682 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 88.8 t80 -51.04 -49.72 59.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 3.7 mm-40 -45.43 -36.2 4.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.332 -0.855 . . . . 0.0 109.7 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -68.46 -47.22 67.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.302 -0.874 . . . . 0.0 110.048 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.503 ' CE2' ' HG ' ' B' ' 25' ' ' LEU . 88.1 m-85 -64.18 -55.34 22.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HD2' HD22 ' B' ' 7' ' ' LEU . 9.2 tpt180 -43.53 -58.44 2.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.03 -1.043 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.36 -48.58 25.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.842 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.574 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 2.9 mmt180 -57.91 -49.86 75.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.301 -0.874 . . . . 0.0 109.927 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 1.7 t30 -40.64 -48.1 2.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.66 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.53 -56.61 16.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.0 109.823 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.83 76.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.0 109.733 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.584 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.2 mm? -59.49 -44.51 93.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -47.39 11.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.171 -0.956 . . . . 0.0 109.268 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.6 mt -66.73 -48.28 69.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.77 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.4 tppp? -43.03 -36.7 1.67 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.236 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.2 -42.51 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.386 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.06 7.89 12.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 110.462 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.214 0.53 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ILE . 38.8 m-85 -118.36 172.11 7.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.873 . . . . 0.0 109.994 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 7' ' ' LEU . 46.8 m -158.99 162.83 36.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 0.0 110.319 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.46 HD22 ' HD2' ' A' ' 19' ' ' ARG . 2.0 mt -147.75 165.33 30.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.1 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -126.83 129.49 48.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.903 . . . . 0.0 110.073 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.407 HG22 ' HG3' ' B' ' 14' ' ' ARG . 35.2 mt -126.21 147.97 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.307 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.28 98.77 6.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.25 135.53 3.61 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -1.148 . . . . 0.0 110.232 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -60.9 -48.77 80.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' B' ' 15' ' ' PHE . 8.4 ptm180 -82.73 -40.66 20.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 110.056 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' B' ' 14' ' ' ARG . 89.2 t80 -51.14 -49.42 60.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.961 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' B' ' 12' ' ' ARG . 3.7 mm-40 -45.36 -36.09 3.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -68.54 -46.89 68.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 110.132 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CE2' ' HG ' ' A' ' 25' ' ' LEU . 90.2 m-85 -65.36 -53.33 45.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' B' ' 18' ' ' PHE . 9.5 tpt180 -45.06 -56.7 4.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.56 -47.58 49.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 109.865 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.498 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.0 mmt180 -58.51 -48.65 80.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.937 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 1.7 t30 -41.99 -47.31 4.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.453 -0.779 . . . . 0.0 109.848 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.45 -55.64 22.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 0.0 109.735 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -49.52 77.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 3.2 mm? -59.65 -44.51 93.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.765 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.07 -46.8 11.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 109.415 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.6 mt -67.33 -48.32 67.88 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.365 -0.834 . . . . 0.0 109.685 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.4 tppp? -43.0 -36.48 1.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 110.119 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.53 -42.41 22.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.272 -0.893 . . . . 0.0 110.389 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.18 7.73 12.85 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.0 110.433 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.179 -0.95 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.255 0.55 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 71.1 m-85 -134.19 171.46 14.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.25 -0.906 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 t -149.44 135.2 18.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.488 HD23 ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -130.12 149.86 51.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.863 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.428 ' O ' HD11 ' A' ' 9' ' ' ILE . 3.3 mt-30 -134.68 147.13 50.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.165 -0.959 . . . . 0.0 110.213 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.428 HD11 ' O ' ' A' ' 8' ' ' GLN . 41.3 mm -125.71 156.13 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.28 28.21 8.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.18 155.79 27.12 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.15 -26.39 23.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -1.13 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.67 -41.19 97.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.532 ' HG2' ' CB ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.26 -41.46 18.3 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.247 -0.908 . . . . 0.0 109.444 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 51.4 t80 -48.92 -46.01 42.34 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.288 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.7 mm-40 -45.21 -34.4 2.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.372 -0.83 . . . . 0.0 109.142 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.2 mm-40 -72.82 -46.48 52.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.35 -0.844 . . . . 0.0 109.548 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CE1' HD23 ' A' ' 7' ' ' LEU . 95.6 m-85 -65.48 -59.14 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.376 -0.828 . . . . 0.0 110.056 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 2.4 tpt180 -45.5 -48.86 14.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.927 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.1 -51.07 45.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.317 -0.864 . . . . 0.0 109.804 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 1.2 mmp_? -59.16 -44.05 92.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 109.821 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t-20 -43.81 -51.8 7.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.88 -46.99 87.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.433 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -59.2 -41.68 89.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.327 -0.858 . . . . 0.0 109.614 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 3.3 tt -49.85 -57.56 7.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -47.45 -48.77 26.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -27.6 64.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.431 -0.793 . . . . 0.0 110.08 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.531 ' CG ' ' HD3' ' B' ' 14' ' ' ARG . 4.3 tptp -79.93 -42.17 24.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 0.0 110.051 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' OD2' ' HG ' ' A' ' 25' ' ' LEU . 4.0 m-20 -58.47 -46.0 87.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 109.891 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -31.31 5.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 110.002 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' LYS . 17.3 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 0.0 110.04 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.279 0.561 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 72.2 m-85 -134.12 171.42 14.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -149.72 135.0 18.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.474 HD23 ' CE1' ' B' ' 18' ' ' PHE . 0.7 OUTLIER -130.27 149.51 51.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.427 ' O ' HD11 ' B' ' 9' ' ' ILE . 3.2 mt-30 -134.25 147.5 50.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 110.23 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.427 HD11 ' O ' ' B' ' 8' ' ' GLN . 41.1 mm -125.86 156.32 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.902 . . . . 0.0 110.169 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.44 28.33 8.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.0 110.154 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.28 155.82 27.15 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.19 -27.08 23.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -1.152 . . . . 0.0 110.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.78 -42.46 97.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.078 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.531 ' HD3' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -82.04 -41.85 20.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.872 179.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.2 t80 -48.4 -46.11 36.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.481 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.7 mm-40 -44.85 -34.42 2.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.908 . . . . 0.0 109.354 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 4.3 mm-40 -73.0 -45.57 57.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.653 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 95.7 m-85 -66.73 -58.46 5.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.854 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 2.4 tpt180 -46.24 -47.96 17.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.776 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.14 -50.68 58.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.882 . . . . 0.0 109.86 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.2 mmp_? -59.59 -43.28 93.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.26 -0.9 . . . . 0.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 5.7 t-20 -44.53 -51.31 8.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.599 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.66 -45.69 93.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 109.46 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -60.39 -41.01 92.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.0 109.538 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.532 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 3.2 tt -50.12 -57.32 7.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.318 -0.864 . . . . 0.0 109.469 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -47.7 -47.86 29.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.449 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -27.59 63.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.8 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 3.0 tptp -79.66 -42.19 25.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 0.0 109.97 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.451 ' OD2' ' HG ' ' B' ' 25' ' ' LEU . 4.1 m-20 -58.99 -46.07 89.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.992 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.79 -31.52 5.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.929 . . . . 0.0 110.012 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 0.0 110.067 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.312 0.577 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -120.19 156.92 30.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.508 ' CG2' ' N ' ' A' ' 7' ' ' LEU . 16.0 m -141.19 170.72 15.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 110.381 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.508 ' N ' ' CG2' ' A' ' 6' ' ' THR . 0.6 OUTLIER -153.12 153.37 32.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.249 -0.907 . . . . 0.0 110.051 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.31 132.8 52.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 0.0 110.159 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.471 ' HB ' ' HB2' ' B' ' 5' ' ' PHE . 3.3 mp -122.86 151.96 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.15 52.59 1.79 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.39 148.86 8.68 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -84.07 -27.9 27.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -1.163 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -73.35 -35.01 65.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 110.158 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 2.9 mtt85 -82.78 -38.4 23.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.29 -0.881 . . . . 0.0 109.215 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -53.39 -42.35 66.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.268 -0.895 . . . . 0.0 109.307 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.1 -40.1 44.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.339 -0.851 . . . . 0.0 109.271 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -63.34 -44.73 94.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.35 179.299 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' ARG . 93.7 m-85 -70.64 -57.05 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 109.912 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.7 ttt85 -42.04 -68.06 0.22 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 109.974 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.25 -44.93 16.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 0.0 109.5 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -58.99 -39.68 82.52 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 109.64 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.2 t-20 -53.81 -49.95 67.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 109.62 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.47 -43.64 75.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.294 -0.879 . . . . 0.0 109.631 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -56.6 -40.38 75.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.822 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 1.5 tt -57.62 -54.45 46.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.671 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -46.64 -56.97 5.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.0 109.688 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.6 -35.34 77.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.375 -0.828 . . . . 0.0 109.827 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ALA . 4.4 tptt -63.33 -38.3 90.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 110.013 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' ' NE ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -74.86 -51.57 13.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.973 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.48 -21.96 2.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.3 -0.875 . . . . 0.0 109.993 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.417 0.627 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.471 ' HB2' ' HB ' ' A' ' 9' ' ' ILE . 76.4 m-85 -120.21 157.4 29.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.908 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.514 HG23 ' N ' ' B' ' 7' ' ' LEU . 15.1 m -141.73 171.03 14.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.514 ' N ' HG23 ' B' ' 6' ' ' THR . 0.6 OUTLIER -153.27 153.61 33.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.131 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.52 132.44 52.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.184 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.445 HG23 ' N ' ' B' ' 10' ' ' ARG . 3.3 mp -122.51 152.02 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.445 ' N ' HG23 ' B' ' 9' ' ' ILE . 0.0 OUTLIER -127.23 52.67 1.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.53 148.63 8.51 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -83.69 -28.6 28.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -1.143 . . . . 0.0 110.226 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.46 -36.49 68.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.173 -0.954 . . . . 0.0 109.929 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 2.8 mtt85 -81.37 -38.49 26.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.905 . . . . 0.0 109.627 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -53.39 -42.19 66.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.0 109.539 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.62 -40.85 40.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -62.67 -44.85 95.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.483 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 93.9 m-85 -70.86 -56.19 6.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 109.802 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 ttt85 -42.88 -67.77 0.25 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 0.0 109.773 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.62 -44.47 18.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.2 -0.937 . . . . 0.0 109.492 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -39.87 84.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -53.44 -50.03 66.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.859 . . . . 0.0 109.642 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.49 -43.64 75.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.285 -0.884 . . . . 0.0 109.717 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -56.79 -40.05 75.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.827 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' B' ' 22' ' ' ASN . 1.5 tt -57.77 -54.53 45.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.331 -0.855 . . . . 0.0 109.729 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -46.6 -56.98 5.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.711 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.66 -35.15 76.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.795 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 24' ' ' ALA . 4.3 tptt -63.46 -38.36 90.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.94 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.46 ' OD2' ' NE ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -74.91 -51.53 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.343 -0.848 . . . . 0.0 110.022 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.69 -21.72 2.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 109.984 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.884 . . . . 0.0 110.05 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 10.8 p90 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.27 0.557 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.57 -179.86 4.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -152.13 143.34 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 0.0 110.234 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -129.95 140.76 50.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.178 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -128.16 134.46 49.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.07 142.41 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.175 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 45.0 1.25 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 110.144 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.9 133.48 3.73 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.5 -48.93 29.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.01 -36.64 60.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 110.269 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.509 ' HG3' ' CD2' ' B' ' 25' ' ' LEU . 20.0 mmt180 -83.07 -48.57 10.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.371 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD2' ' CG ' ' B' ' 5' ' ' PHE . 10.4 t80 -47.89 -46.54 31.68 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.66 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -45.88 -38.18 7.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.0 109.41 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 17.4 mt-30 -67.69 -47.31 69.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.373 -0.829 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 96.5 m-85 -72.02 -54.4 10.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.307 -0.871 . . . . 0.0 109.78 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 7.7 ttp180 -46.72 -65.81 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.223 -0.923 . . . . 0.0 109.802 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -48.21 -41.6 27.79 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.209 -0.932 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 3.9 tpt180 -60.62 -42.77 97.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.564 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 18.1 t-20 -51.13 -50.92 57.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.401 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -52.13 -52.54 50.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.0 109.168 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.86 38.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.291 -0.881 . . . . 0.0 109.006 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 1.7 tt -56.86 -57.74 11.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.466 -0.771 . . . . 0.0 109.304 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.39 -36.47 9.74 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.245 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -80.18 -44.51 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 109.934 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 6.4 tppt? -65.47 -35.62 81.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -50.23 43.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -14.79 63.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 3.1 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.209 -0.932 . . . . 0.0 110.142 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' B' ' 4' ' ' TYR . 10.8 p90 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.258 0.551 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.536 ' CG ' ' CD2' ' A' ' 15' ' ' PHE . 32.5 m-85 -120.58 -179.88 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.253 -0.905 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -152.14 143.21 23.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.211 -0.931 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -129.73 141.05 50.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -128.33 134.42 48.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -0.942 . . . . 0.0 110.224 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 mt -129.94 142.52 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.6 45.0 1.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -0.91 . . . . 0.0 110.199 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.87 133.41 3.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -73.45 -49.62 25.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -1.186 . . . . 0.0 110.196 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.91 -38.8 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.992 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -81.09 -49.28 11.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.363 -0.836 . . . . 0.0 109.827 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' B' ' 16' ' ' GLU . 10.4 t80 -47.34 -46.49 25.59 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 109.775 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.4 mt-10 -45.51 -38.22 6.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 17.7 mt-30 -67.7 -47.13 70.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.698 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -72.59 -53.67 11.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 7.7 ttp180 -47.26 -65.52 0.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.676 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -48.48 -41.61 30.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 4.0 tpt180 -60.5 -42.82 97.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.382 -0.824 . . . . 0.0 109.539 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 18.1 t-20 -51.24 -50.71 58.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 109.415 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.41 -52.02 56.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.31 -33.56 42.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.509 ' CD2' ' HG3' ' A' ' 14' ' ' ARG . 1.6 tt -56.76 -57.79 10.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.484 -0.76 . . . . 0.0 109.473 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.42 -35.4 8.4 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.418 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -81.26 -44.46 17.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 0.0 109.739 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 6.0 tppt? -65.55 -35.58 81.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.343 -0.848 . . . . 0.0 109.938 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -50.28 40.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.7 -14.85 63.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.272 -0.892 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 3.0 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.574 ' CZ ' ' HB3' ' B' ' 10' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.258 0.552 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.18 117.47 17.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.035 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -123.83 136.78 54.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' CD2' ' ND2' ' B' ' 22' ' ' ASN . 4.6 mt -122.4 156.82 33.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.931 . . . . 0.0 110.164 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -119.95 131.58 55.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.245 -0.909 . . . . 0.0 110.282 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' B' ' 4' ' ' TYR . 4.3 mt -125.34 149.4 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.264 -0.898 . . . . 0.0 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -124.91 44.82 2.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.237 -0.914 . . . . 0.0 110.306 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.91 105.48 0.26 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -46.71 -51.86 15.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -1.166 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.04 -35.85 7.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 47.7 mtm180 -83.16 -53.51 5.73 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 0.0 109.159 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 16' ' ' GLU . 39.0 t80 -47.33 -46.62 25.58 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.731 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' PHE . 11.1 mt-10 -44.27 -40.4 5.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.39 -0.819 . . . . 0.0 109.507 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.9 mm-40 -66.65 -43.96 83.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.301 -0.874 . . . . 0.0 109.482 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 98.7 m-85 -69.75 -54.8 12.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -0.9 . . . . 0.0 109.886 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' CD ' ' CE2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -45.08 -58.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.0 109.668 179.605 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -41.6 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -0.879 . . . . 0.0 109.581 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.602 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -68.77 -46.14 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.452 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 5.6 t-20 -43.33 -42.02 4.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.607 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -80.54 -48.21 13.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.12 97.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.585 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 4.3 mm? -63.55 -49.21 74.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.824 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.7 tm-20 -44.93 -46.25 10.87 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.588 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.85 -31.89 69.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.71 -37.57 87.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 109.902 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' HB2' ' HD3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -71.42 -47.43 55.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.137 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.7 -10.04 24.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.931 . . . . 0.0 110.184 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.864 . . . . 0.0 110.054 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.313 0.577 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -133.14 117.51 17.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -123.94 136.72 54.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.934 . . . . 0.0 110.263 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.29 157.14 32.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.198 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -120.19 131.77 55.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 4.3 mt -125.49 149.48 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.252 -0.905 . . . . 0.0 110.222 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.01 44.78 2.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.243 -0.911 . . . . 0.0 110.272 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.82 105.45 0.26 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -52.98 12.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -1.13 . . . . 0.0 110.147 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -45.44 -38.54 6.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.942 . . . . 0.0 109.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 46.9 mtm180 -80.49 -55.07 5.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.573 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' B' ' 16' ' ' GLU . 38.2 t80 -46.28 -46.44 17.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.881 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 11.0 mt-10 -44.1 -40.04 4.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 109.574 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 5.0 mm-40 -67.05 -43.27 83.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.654 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 98.5 m-85 -70.26 -54.45 12.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.0 109.786 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.416 ' CD ' ' CE2' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -45.81 -57.87 3.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.639 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.92 -41.55 62.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.58 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -68.94 -45.83 69.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 109.663 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 5.6 t-20 -43.54 -41.83 4.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.61 -48.62 12.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.4 96.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 4.3 mm? -63.11 -49.57 73.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.826 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' B' ' 25' ' ' LEU . 1.7 tm-20 -44.63 -45.98 9.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.689 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 5.5 tt -70.37 -31.6 68.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.861 . . . . 0.0 109.777 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.99 -37.19 86.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.364 -0.835 . . . . 0.0 109.912 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.457 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -71.78 -47.38 53.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.121 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -10.33 27.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.896 . . . . 0.0 110.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 110.037 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.5 ' CB ' ' HA ' ' B' ' 10' ' ' ARG . 38.9 p90 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.273 0.559 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.29 178.43 5.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.31 134.27 14.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.493 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.2 tp -118.89 134.64 55.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.886 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.14 115.91 25.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 0.0 110.211 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 7' ' ' LEU . 3.1 mp -119.05 128.69 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -95.3 40.65 1.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.0 110.216 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.6 124.05 1.36 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -66.48 -41.74 88.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -1.155 . . . . 0.0 110.208 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' HB3' ' OD1' ' B' ' 29' ' ' ASP . 0.9 OUTLIER -47.02 -44.63 20.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.189 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' B' ' 25' ' ' LEU . 21.0 mtp180 -83.24 -40.56 19.45 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.278 -0.889 . . . . 0.0 109.76 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLU . 51.4 t80 -60.68 -51.78 67.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.402 -0.811 . . . . 0.0 110.166 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' PHE . 4.7 mm-40 -42.99 -40.06 2.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 0.0 109.562 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 4.6 mm-40 -65.2 -45.61 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.485 -0.759 . . . . 0.0 109.764 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 17.1 m-30 -69.94 -55.28 10.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.111 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' PHE . 4.6 ttt180 -41.18 -67.54 0.24 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.221 -0.924 . . . . 0.0 110.206 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.9 -43.97 29.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -62.21 -44.7 95.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 23.1 t-20 -44.15 -49.57 8.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.276 -0.89 . . . . 0.0 109.571 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.63 -51.04 70.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.306 -0.871 . . . . 0.0 109.867 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.13 -53.86 50.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 109.756 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HG ' ' CZ ' ' B' ' 18' ' ' PHE . 3.1 mm? -52.0 -44.84 64.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.674 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -45.95 -54.18 8.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.898 . . . . 0.0 109.457 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -38.52 77.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 109.905 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 12.2 tppt? -47.52 -55.98 8.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 109.903 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -47.57 83.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.88 . . . . 0.0 110.127 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.69 14.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.329 -0.857 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 0.0 110.318 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 10' ' ' ARG . 39.0 p90 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -126.39 178.19 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.17 133.49 14.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.498 ' CD2' HD11 ' B' ' 9' ' ' ILE . 21.1 tp -117.93 134.96 54.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.2 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.45 115.93 25.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 0.0 110.166 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' B' ' 7' ' ' LEU . 3.1 mp -119.16 128.79 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.897 . . . . 0.0 110.216 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -95.48 40.77 1.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.67 124.19 1.38 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.426 ' HG3' ' HG2' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -66.64 -41.62 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -1.138 . . . . 0.0 110.177 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -44.93 20.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.0 110.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 20.3 mtp180 -83.09 -40.31 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 110.027 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.4 t80 -60.97 -51.29 69.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 110.102 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 15' ' ' PHE . 4.7 mm-40 -43.67 -37.63 2.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 109.735 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 4.6 mm-40 -68.08 -43.43 78.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.846 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 17.5 m-30 -72.4 -52.92 13.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.013 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' B' ' 18' ' ' PHE . 4.6 ttt180 -43.1 -67.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.0 109.907 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -47.59 -43.82 25.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.615 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -62.14 -44.29 96.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.354 -0.841 . . . . 0.0 109.745 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 22.9 t-20 -44.56 -49.17 10.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.686 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -62.21 -50.8 70.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.321 -0.862 . . . . 0.0 109.645 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.14 47.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.781 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 3.1 mm? -51.81 -44.29 63.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -0.848 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.53 -53.16 11.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.196 -0.94 . . . . 0.0 109.679 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 -38.05 73.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.802 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 12.3 tppt? -47.81 -55.47 9.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 109.825 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . 0.408 ' OD1' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.96 -47.28 83.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.311 -0.868 . . . . 0.0 110.158 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.97 -26.71 16.08 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.273 -179.89 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 24.7 p90 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.208 0.527 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.418 ' CZ ' ' HD2' ' B' ' 12' ' ' ARG . 25.8 m-85 -123.41 163.85 20.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 16.5 m -150.72 128.08 11.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.38 162.77 19.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 0.0 110.401 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -129.79 132.7 46.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.023 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' B' ' 4' ' ' TYR . 2.6 mp -119.27 156.75 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.956 . . . . 0.0 110.371 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -134.31 34.07 3.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 15' ' ' PHE . . . -154.03 129.85 2.76 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.461 ' HD2' ' CZ ' ' B' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -55.76 14.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -1.144 . . . . 0.0 110.214 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 21.7 tt0 -44.31 -40.94 5.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 110.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HB3' HD13 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.02 -45.31 14.21 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.567 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 45.9 t80 -51.78 -47.65 64.1 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.393 -0.817 . . . . 0.0 109.659 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 9.5 mt-10 -44.79 -38.01 4.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.292 -0.88 . . . . 0.0 109.336 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.83 -46.32 75.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.808 . . . . 0.0 109.601 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' B' ' 21' ' ' ARG . 97.3 m-85 -67.51 -58.86 3.97 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.906 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.4 tpt180 -43.48 -61.53 1.35 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.823 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -45.77 -49.05 15.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.556 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 3.6 mpt_? -57.01 -41.38 78.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 109.636 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 6.9 t-20 -50.46 -51.38 47.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.738 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.12 -44.41 74.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.265 -0.897 . . . . 0.0 109.49 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -62.89 -37.11 85.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.833 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 4.6 tt -57.41 -48.2 79.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.914 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.38 -55.22 37.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.83 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.58 -24.66 64.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 109.832 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -77.34 -31.2 54.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.341 -0.849 . . . . 0.0 109.91 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.29 -48.56 33.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 110.124 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.43 -12.18 29.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.18 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 24.8 p90 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.269 0.557 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.461 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 25.9 m-85 -123.53 164.12 19.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 110.164 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 m -151.21 128.33 11.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 109.971 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.53 163.01 19.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 110.437 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 5.1 mt-30 -129.98 132.25 46.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 2.6 mp -118.9 156.81 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 6.3 ptp180 -134.37 34.23 3.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.301 -0.874 . . . . 0.0 110.185 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.17 129.93 2.77 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -66.48 -56.38 11.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.265 -1.138 . . . . 0.0 110.205 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' B' ' 14' ' ' ARG . 21.6 tt0 -43.43 -42.11 4.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.43 ' HB3' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -81.89 -46.17 14.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 0.0 109.766 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' GLU . 44.2 t80 -51.1 -47.71 61.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.703 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 9.5 mt-10 -44.4 -38.04 3.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -67.04 -45.9 76.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.444 -0.785 . . . . 0.0 109.609 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.3 m-85 -68.1 -58.17 4.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 109.864 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.3 tpt180 -44.25 -61.44 1.5 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 109.717 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -45.92 -48.59 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.852 . . . . 0.0 109.62 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 3.6 mpt_? -57.55 -41.18 80.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.64 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 6.9 t-20 -50.36 -51.23 47.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.783 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.43 -43.63 75.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.584 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' B' ' 28' ' ' LYS . . . -63.84 -36.72 84.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.672 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' B' ' 22' ' ' ASN . 4.5 tt -57.56 -48.05 80.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.317 -0.865 . . . . 0.0 109.845 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.56 -55.43 34.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.0 109.77 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.33 -24.87 64.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.819 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -77.19 -31.15 55.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.355 -0.841 . . . . 0.0 109.841 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.52 -48.23 34.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.088 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.79 -12.38 35.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.156 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.874 . . . . 0.0 110.111 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 16.0 p90 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.286 0.565 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 27.5 m-85 -120.89 169.49 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.112 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 0.8 OUTLIER -143.62 138.18 28.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.0 110.371 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.78 155.27 31.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.451 ' O ' HD11 ' A' ' 9' ' ' ILE . 6.3 mt-30 -136.28 130.94 33.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.277 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.451 HD11 ' O ' ' A' ' 8' ' ' GLN . 19.7 mm -119.67 145.6 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.167 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -108.04 -14.22 14.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.244 -0.91 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.15 150.65 17.49 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.28 -46.91 19.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -1.145 . . . . 0.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.03 -40.76 5.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.866 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.482 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 3.6 mtp180 -82.9 -44.46 15.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.205 -0.935 . . . . 0.0 109.359 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 89.9 t80 -57.15 -47.17 81.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.422 -0.799 . . . . 0.0 109.808 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' PHE . 4.4 mm-40 -44.99 -32.78 1.77 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.536 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 9.2 mm100 -74.28 -50.08 20.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 109.732 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 94.1 m-85 -62.21 -53.49 54.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -50.18 -66.17 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.888 . . . . 0.0 109.688 179.381 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.32 -40.44 17.07 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.925 . . . . 0.0 109.563 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.8 OUTLIER -68.36 -41.68 80.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 109.599 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.466 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 28.2 t-20 -46.92 -48.18 21.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.332 -0.855 . . . . 0.0 109.505 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -68.24 -41.74 80.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.0 109.698 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -56.88 7.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.322 -0.861 . . . . 0.0 109.714 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -54.42 -36.17 63.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 0.0 109.635 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 53.5 tt0 -55.56 -49.52 72.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.274 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.1 tt -74.78 -25.16 58.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.35 -0.844 . . . . 0.0 109.804 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 5.8 tptt -58.82 -47.04 86.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.035 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.04 -34.52 43.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.47 -12.42 60.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.259 -0.901 . . . . 0.0 110.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 15.8 p90 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.261 0.553 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.543 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 27.0 m-85 -120.75 169.56 10.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 0.0 110.078 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.75 137.31 28.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.388 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.76 155.62 29.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 109.933 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.456 ' O ' HD11 ' B' ' 9' ' ' ILE . 6.0 mt-30 -136.38 131.03 33.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.456 HD11 ' O ' ' B' ' 8' ' ' GLN . 19.4 mm -119.83 145.62 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.216 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -107.75 -15.44 14.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.208 -0.933 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.71 17.89 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' B' ' 13' ' ' GLU . 14.5 ttt180 -78.22 -47.33 18.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -1.125 . . . . 0.0 110.235 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . 36.6 tt0 -43.23 -42.83 4.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 110.049 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 3.6 mtp180 -80.79 -45.76 16.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.831 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 5' ' ' PHE . 89.8 t80 -56.09 -47.21 78.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -0.839 . . . . 0.0 109.865 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 15' ' ' PHE . 4.3 mm-40 -44.69 -33.0 1.68 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.628 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' B' ' 17' ' ' GLN . 9.1 mm100 -74.15 -50.97 17.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.829 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.4 m-85 -61.93 -52.5 63.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.703 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -65.48 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.85 -40.03 20.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.436 ' HG2' ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -68.69 -41.14 79.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.337 -0.852 . . . . 0.0 109.583 179.453 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 28.3 t-20 -47.22 -48.17 24.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.867 . . . . 0.0 109.559 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.35 -41.65 80.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.399 -0.813 . . . . 0.0 109.688 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.08 -56.68 7.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.69 -35.9 64.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.709 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -55.59 -48.68 74.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.396 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.1 tt -75.73 -25.09 56.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 0.0 109.696 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 5.6 tptt -58.74 -46.94 86.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.313 -0.867 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.31 -34.26 42.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.58 60.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.356 0.598 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 41.4 m-85 -128.07 121.9 30.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.906 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.461 ' OG1' ' OE1' ' B' ' 8' ' ' GLN . 19.8 m -118.67 143.92 46.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.127 -0.983 . . . . 0.0 110.386 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 ' O ' HG21 ' B' ' 6' ' ' THR . 5.8 mt -122.93 156.74 34.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.852 . . . . 0.0 110.209 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -122.39 141.22 51.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 110.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' B' ' 5' ' ' PHE . 3.3 mt -134.67 149.43 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 24.84 8.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.359 -0.838 . . . . 0.0 110.028 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -140.14 124.65 2.72 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.72 -48.34 64.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -1.137 . . . . 0.0 110.345 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -36.31 46.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.238 -0.914 . . . . 0.0 110.455 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.07 -38.09 22.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.261 -0.899 . . . . 0.0 109.589 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' B' ' 5' ' ' PHE . 65.6 t80 -52.64 -48.18 66.57 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.324 -0.86 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.1 mt-10 -44.4 -34.67 2.1 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.349 -0.845 . . . . 0.0 109.282 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -70.2 -51.65 29.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.806 . . . . 0.0 109.958 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.459 ' HB3' HD13 ' B' ' 7' ' ' LEU . 78.6 m-85 -59.14 -59.45 5.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 109.986 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.8 tpt180 -43.18 -52.27 5.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 0.0 109.84 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.27 -55.71 4.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.413 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.607 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -53.51 -42.32 67.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.349 179.229 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ARG . 2.0 t-20 -43.88 -54.26 5.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.334 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.04 -49.9 70.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.398 -0.814 . . . . 0.0 109.363 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' N ' ' OE1' ' A' ' 23' ' ' GLU . . . -61.94 -42.35 99.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.633 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.72 -42.71 62.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 0.0 109.619 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -60.26 -53.69 54.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 0.0 109.575 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -64.96 -27.45 68.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.852 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 6.3 tptt -66.4 -32.88 74.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.69 -29.64 32.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.28 0.69 24.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.309 0.576 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.523 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 40.2 m-85 -128.33 121.16 28.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.974 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.447 HG21 ' O ' ' A' ' 7' ' ' LEU . 19.4 m -117.89 144.05 45.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.917 . . . . 0.0 110.366 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' A' ' 18' ' ' PHE . 5.6 mt -123.14 156.75 34.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.301 -0.874 . . . . 0.0 110.219 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . 0.461 ' OE1' ' OG1' ' A' ' 6' ' ' THR . 4.4 mt-30 -122.34 140.98 52.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 5' ' ' PHE . 3.3 mt -134.61 149.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 24.87 8.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.87 124.7 2.77 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.78 -48.76 62.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.236 -1.155 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.84 -38.2 47.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -39.24 26.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.995 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 63.8 t80 -51.35 -48.51 62.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.958 . . . . 0.0 109.634 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.1 mt-10 -43.93 -34.75 1.76 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.358 -0.839 . . . . 0.0 109.52 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.41 -51.0 32.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.915 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 79.1 m-85 -60.43 -57.98 10.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 0.0 109.905 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 tpt180 -44.39 -51.69 8.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.667 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -44.59 -55.35 5.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -0.89 . . . . 0.0 109.499 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' B' ' 22' ' ' ASN . 0.0 OUTLIER -53.71 -42.02 67.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.859 . . . . 0.0 109.364 179.287 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' B' ' 21' ' ' ARG . 1.9 t-20 -44.25 -54.13 5.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 109.333 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -55.33 -48.45 74.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 0.0 109.506 179.306 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.414 ' N ' ' OE1' ' B' ' 23' ' ' GLU . . . -63.4 -42.06 98.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.611 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 14' ' ' ARG . 5.9 tt -51.84 -42.38 62.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.27 -0.894 . . . . 0.0 109.596 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -60.35 -53.28 59.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.318 -0.864 . . . . 0.0 109.696 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -65.53 -27.79 68.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 179.519 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' B' ' 28' ' ' LYS . 6.0 tptt -65.8 -32.87 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.391 -0.818 . . . . 0.0 110.072 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.2 -28.7 31.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.231 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.24 0.6 27.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 110.224 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 31.9 p90 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.232 0.539 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.421 ' CZ ' ' HD3' ' B' ' 12' ' ' ARG . 61.0 m-85 -133.04 170.22 15.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.217 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 7' ' ' LEU . 14.0 m -159.06 158.07 32.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.25 152.41 48.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.091 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.69 130.34 52.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 110.338 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CG2' ' HB2' ' A' ' 15' ' ' PHE . 2.7 mp -125.8 165.84 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.896 . . . . 0.0 109.992 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -125.38 -31.22 3.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.955 . . . . 0.0 110.504 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.35 125.74 8.64 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -72.36 -17.67 61.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.256 -1.143 . . . . 0.0 110.395 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -53.31 59.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 0.0 110.414 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.521 ' CB ' HD13 ' B' ' 25' ' ' LEU . 33.8 ptt180 -82.62 -34.11 27.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 6.2 t80 -56.9 -48.95 77.02 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.029 -1.045 . . . . 0.0 109.284 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.29 -40.53 25.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.379 -0.826 . . . . 0.0 109.202 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.1 mp0 -58.93 -42.75 90.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.419 -0.801 . . . . 0.0 109.293 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 21.7 m-30 -68.64 -54.26 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.39 -0.819 . . . . 0.0 109.97 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' PHE . 5.2 tpt180 -42.87 -65.08 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.09 -35.91 27.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.382 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.89 -48.27 66.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.0 109.643 179.438 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.55 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 33.8 t30 -44.58 -48.42 10.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 109.694 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.15 -49.24 78.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.954 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -58.3 7.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.862 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD13 ' CB ' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -60.01 -36.87 78.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 28.8 tt0 -50.01 -48.98 52.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.533 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 3.7 mt -68.79 -30.08 68.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 0.0 109.88 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.74 -33.81 76.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.033 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD2' ' HB3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -82.22 -46.57 13.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.21 33.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.896 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.234 0.54 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.471 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 61.4 m-85 -132.95 170.45 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.893 . . . . 0.0 110.161 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.468 HG23 ' N ' ' B' ' 7' ' ' LEU . 13.4 m -159.29 158.07 31.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.199 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.468 ' N ' HG23 ' B' ' 6' ' ' THR . 0.3 OUTLIER -138.24 152.21 48.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.51 130.1 52.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.0 110.375 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.41 ' CG2' ' HB2' ' B' ' 15' ' ' PHE . 2.7 mp -125.68 164.98 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -124.02 -32.75 3.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.266 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.76 125.88 8.63 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.458 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -71.88 -18.42 62.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -1.146 . . . . 0.0 110.286 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -54.25 49.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 110.126 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.492 ' CB ' HD13 ' A' ' 25' ' ' LEU . 33.8 ptt180 -81.6 -34.61 30.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 110.081 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 6.7 t80 -56.51 -49.16 75.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.032 -1.042 . . . . 0.0 109.42 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.82 -40.65 21.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 109.305 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.1 mp0 -59.41 -41.76 90.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.403 -0.811 . . . . 0.0 109.46 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 22.2 m-30 -69.56 -53.01 21.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' A' ' 7' ' ' LEU . 5.2 tpt180 -44.0 -65.05 0.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.23 -0.919 . . . . 0.0 109.573 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -50.09 -35.71 26.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.909 . . . . 0.0 109.432 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.671 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 33.3 t30 -44.47 -48.58 10.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.34 -0.85 . . . . 0.0 109.752 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.21 -49.28 77.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.02 8.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.521 HD13 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -60.36 -36.69 78.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' B' ' 22' ' ' ASN . 28.6 tt0 -50.09 -48.41 53.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.177 -0.952 . . . . 0.0 109.602 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 3.7 mt -69.35 -29.87 67.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.837 . . . . 0.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.96 -33.03 74.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.373 -0.83 . . . . 0.0 109.962 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.21 -46.48 12.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.69 -17.26 33.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.125 -0.984 . . . . 0.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 35.1 p90 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.244 0.545 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' B' ' 12' ' ' ARG . 69.8 m-85 -127.77 145.7 50.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.274 -0.891 . . . . 0.0 110.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -124.18 138.33 54.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 0.0 110.193 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.28 130.13 42.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -121.18 135.54 55.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.873 . . . . 0.0 110.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 10' ' ' ARG . 3.5 mt -131.14 171.43 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 3.8 ttt180 -124.34 84.14 2.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 0.0 110.162 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 135.4 2.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HB2' ' CZ ' ' B' ' 5' ' ' PHE . 3.5 ttt180 -87.19 -12.42 46.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -1.148 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.57 -55.78 24.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.43 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' B' ' 25' ' ' LEU . 1.7 ptp180 -82.67 -33.74 27.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.59 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB3' ' HA ' ' A' ' 12' ' ' ARG . 52.6 t80 -61.03 -56.63 18.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.294 -0.879 . . . . 0.0 110.069 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -43.19 -27.82 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 109.578 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -73.42 -46.69 47.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.391 -0.818 . . . . 0.0 109.445 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 22' ' ' ASN . 17.8 m-85 -70.92 -44.38 66.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.839 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 11.0 tpt180 -49.38 -60.55 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.19 -0.944 . . . . 0.0 109.939 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -46.09 72.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.868 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ASN . 3.9 mmt180 -63.86 -45.49 89.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 0.0 109.958 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.546 ' HA ' ' CE2' ' B' ' 18' ' ' PHE . 2.7 t-20 -43.3 -53.29 5.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.833 . . . . 0.0 109.59 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.31 -53.29 59.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.21 82.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 0.0 109.561 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -66.8 -40.09 87.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.838 . . . . 0.0 109.618 179.369 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.83 -49.96 14.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -38.79 83.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 14.4 tppt? -52.13 -32.05 33.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.047 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.4 -42.41 18.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.0 5.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.899 . . . . 0.0 110.334 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 35.2 p90 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.235 0.541 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 12' ' ' ARG . 70.1 m-85 -128.04 145.43 50.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.0 110.194 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -123.95 138.27 54.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.21 130.03 42.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.276 -0.89 . . . . 0.0 110.24 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -121.0 135.53 55.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' B' ' 10' ' ' ARG . 3.5 mt -131.11 171.57 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.454 ' N ' ' CG2' ' B' ' 9' ' ' ILE . 3.8 ttt180 -124.54 84.1 2.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.891 . . . . 0.0 110.154 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.62 135.73 2.5 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.4 ttt180 -87.4 -12.88 44.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -1.128 . . . . 0.0 110.191 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -57.41 11.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.427 ' HB2' HD11 ' A' ' 25' ' ' LEU . 1.9 ptp180 -81.25 -33.28 32.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 109.981 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.434 ' HB3' ' HA ' ' B' ' 12' ' ' ARG . 53.3 t80 -61.68 -55.81 26.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.24 -0.912 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' B' ' 17' ' ' GLN . 0.0 OUTLIER -43.69 -26.29 0.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 109.761 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.493 ' N ' ' HG3' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -75.34 -45.59 38.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -0.884 . . . . 0.0 109.517 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 22' ' ' ASN . 19.2 m-85 -72.5 -42.76 64.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.774 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 11.2 tpt180 -50.57 -59.64 3.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.755 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -45.59 74.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 0.0 109.747 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 17' ' ' GLN . 3.8 mmt180 -64.32 -45.53 87.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . 0.551 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 2.7 t-20 -42.94 -53.49 4.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.825 . . . . 0.0 109.678 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.36 -52.35 65.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.481 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.94 86.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.477 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -67.06 -39.61 86.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.372 -0.83 . . . . 0.0 109.596 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.35 -48.97 18.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.207 -0.933 . . . . 0.0 109.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -38.26 78.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.321 -0.862 . . . . 0.0 109.739 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 14.5 tppt? -52.59 -31.01 34.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.85 -42.06 16.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 110.157 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -20.65 6.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.19 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.314 0.578 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.09 -159.71 31.79 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.38 156.98 43.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 50.8 p90 -157.32 -157.25 0.66 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.249 -0.907 . . . . 0.0 110.22 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 4' ' ' TYR . 23.0 m-85 -145.36 170.17 16.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.067 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.4 t -152.0 137.9 18.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.156 -0.965 . . . . 0.0 110.478 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.64 144.41 48.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.11 143.57 51.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.0 110.413 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.1 mp -140.62 145.6 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 110.146 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.22 20.68 18.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 0.0 110.166 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.466 ' HA3' ' CD ' ' A' ' 14' ' ' ARG . . . -127.74 130.37 6.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -76.66 -34.2 58.28 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -1.175 . . . . 0.0 110.34 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.24 -35.19 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.893 . . . . 0.0 110.545 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' CD ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -83.17 -44.98 14.45 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.588 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CZ ' ' HD3' ' A' ' 19' ' ' ARG . 82.9 t80 -48.5 -51.89 25.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.459 -0.776 . . . . 0.0 110.04 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.6 mm-40 -43.69 -37.35 2.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.644 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.451 ' OE1' HD23 ' B' ' 25' ' ' LEU . 2.7 mm-40 -68.32 -51.06 48.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -0.805 . . . . 0.0 110.134 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 95.6 m-85 -65.5 -58.15 6.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 9.1 tpt180 -42.92 -65.28 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.141 -0.974 . . . . 0.0 109.919 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.61 -43.56 46.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -64.47 -42.16 96.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.572 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.559 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 50.4 t30 -45.89 -45.3 15.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.349 -0.845 . . . . 0.0 109.451 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.58 -46.06 77.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.469 -0.77 . . . . 0.0 109.815 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.26 19.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 109.966 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -59.45 -39.62 84.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 0.0 109.79 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -51.38 -39.66 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.482 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.26 -34.35 63.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.086 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 7.0 tptt -52.76 -51.95 58.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -76.33 -57.14 4.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.23 -26.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.262 -0.899 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -118.54 113.35 21.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 110.237 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 31' ' ' GLN . . . 57.64 -142.06 0.73 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 0.0 110.203 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.83 -38.33 2.28 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.297 -1.12 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.225 0.536 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.92 -159.8 32.03 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.28 157.02 43.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.229 -1.159 . . . . 0.0 110.163 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' B' ' 5' ' ' PHE . 50.9 p90 -157.31 -157.37 0.67 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.158 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' B' ' 4' ' ' TYR . 23.2 m-85 -145.38 170.23 16.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.925 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 t -151.99 138.04 18.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.98 . . . . 0.0 110.433 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.81 144.3 48.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.285 -0.885 . . . . 0.0 109.957 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -126.96 143.47 51.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.154 -0.966 . . . . 0.0 110.461 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 4.1 mp -140.62 145.21 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.061 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.41 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 5.5 ptm180 -107.81 20.66 18.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.473 ' HA3' ' CD ' ' B' ' 14' ' ' ARG . . . -127.47 130.06 6.66 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt-85 -76.56 -34.43 58.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -1.161 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.52 -36.07 77.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 110.197 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.473 ' CD ' ' HA3' ' B' ' 11' ' ' GLY . 0.0 OUTLIER -82.38 -45.61 14.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.928 . . . . 0.0 110.035 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.49 ' CZ ' ' HD3' ' B' ' 19' ' ' ARG . 81.3 t80 -47.9 -52.43 19.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 15' ' ' PHE . 6.7 mm-40 -43.16 -37.39 2.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.757 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.62 -50.95 47.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.2 m-85 -66.17 -57.1 8.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.877 . . . . 0.0 110.239 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.49 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 9.2 tpt180 -43.75 -64.9 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.179 -0.95 . . . . 0.0 109.715 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.93 -43.48 49.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.459 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -64.12 -41.67 97.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 0.0 109.556 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 52.0 t30 -46.25 -44.4 16.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.314 -0.866 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.0 -44.85 75.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.3 17.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.833 . . . . 0.0 109.925 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -59.53 -39.54 84.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -51.75 -37.75 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -76.17 -33.79 59.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 109.938 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 6.7 tptt -52.99 -51.8 60.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.017 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' GLN . 0.2 OUTLIER -76.7 -56.84 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.897 . . . . 0.0 110.201 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.6 -27.22 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.299 -0.876 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' B' ' 29' ' ' ASP . 1.0 OUTLIER -118.29 113.66 21.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' B' ' 31' ' ' GLN . . . 57.27 -142.21 0.74 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -0.899 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.15 -38.58 2.19 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.243 -1.151 . . . . 0.0 110.255 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.254 0.55 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.81 -114.55 0.83 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.15 53.89 1.46 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -1.172 . . . . 0.0 110.228 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' B' ' 10' ' ' ARG . 1.4 m-85 -132.64 138.43 47.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.207 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 23.7 m-85 -119.48 154.65 33.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 4.8 m -148.07 155.49 41.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.34 149.18 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.879 . . . . 0.0 110.234 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 30.9 mt-30 -127.1 133.09 50.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.895 . . . . 0.0 110.107 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.69 158.94 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.333 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -115.69 37.76 3.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.097 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.74 141.88 8.12 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' HB2' ' CZ ' ' B' ' 5' ' ' PHE . 66.5 ttt180 -81.89 -30.97 31.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -1.149 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.69 -35.68 81.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 110.372 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.25 -45.05 14.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.159 -0.963 . . . . 0.0 109.548 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CG ' ' HB3' ' B' ' 5' ' ' PHE . 56.0 t80 -61.21 -49.4 77.3 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.362 -0.836 . . . . 0.0 110.034 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.8 mm-40 -43.28 -39.67 3.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 0.0 109.775 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -67.59 -45.8 74.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 14.1 m-30 -64.14 -51.0 65.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.279 -0.888 . . . . 0.0 110.143 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.1 ttt-85 -46.81 -63.54 1.0 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.72 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -49.03 -42.7 39.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.522 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.5 mtt180 -64.06 -44.77 91.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 0.0 109.693 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 1.8 t-20 -43.97 -46.84 8.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.28 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -53.1 60.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 109.512 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.13 -54.35 48.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.315 -0.865 . . . . 0.0 109.602 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' B' ' 18' ' ' PHE . 3.2 mm? -50.38 -45.47 55.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.323 -0.861 . . . . 0.0 109.553 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.24 -46.93 36.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.352 -0.842 . . . . 0.0 109.545 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.8 tp -73.18 -36.6 66.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.878 . . . . 0.0 109.976 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 10.6 tptp -50.68 -54.78 20.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -32.43 68.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 110.23 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.93 0.07 16.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.167 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -120.29 -40.75 2.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 110.222 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.47 -21.88 30.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 0.0 110.227 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.61 126.75 1.67 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.199 -1.177 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.282 0.563 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.77 -114.61 0.83 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.02 53.92 1.47 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 10' ' ' ARG . 1.3 m-85 -132.6 138.77 47.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 23.3 m-85 -119.84 154.38 34.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.267 -0.896 . . . . 0.0 110.157 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 5.2 m -147.94 155.41 41.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.21 -0.931 . . . . 0.0 110.244 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.29 149.08 42.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.235 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.439 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 30.8 mt-30 -126.96 133.16 50.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.79 158.83 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.528 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -115.61 37.7 3.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.65 141.81 8.08 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 66.5 ttt180 -81.84 -31.64 31.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.179 -1.189 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.82 -36.56 84.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.173 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -45.38 14.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 109.889 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' B' ' 16' ' ' GLU . 55.9 t80 -61.17 -49.04 78.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.985 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.8 mm-40 -43.45 -38.65 2.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.404 ' O ' ' HD2' ' B' ' 21' ' ' ARG . 1.2 mm100 -68.86 -44.88 72.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 109.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 14.5 m-30 -65.47 -49.86 67.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.939 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 12.6 ttt-85 -47.54 -62.91 1.21 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.542 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -49.77 -42.21 46.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.917 . . . . 0.0 109.556 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.58 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.5 mtt180 -64.23 -44.81 90.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.381 -0.824 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 1.8 t-20 -43.64 -46.48 7.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 109.436 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -52.87 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 109.537 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -54.45 46.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 109.642 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 18' ' ' PHE . 3.1 mm? -50.12 -45.55 52.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.66 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.48 -45.69 37.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.872 . . . . 0.0 109.672 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.7 tp -74.41 -36.68 63.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.791 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 10.4 tptp -50.51 -54.65 20.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.341 -0.849 . . . . 0.0 110.062 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -32.22 67.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.907 . . . . 0.0 110.177 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.11 17.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER -120.33 -40.58 2.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.8 30.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.49 126.83 1.69 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.298 -1.119 . . . . 0.0 110.206 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.298 0.57 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.62 -103.14 0.12 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -131.53 -170.78 2.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.22 -1.165 . . . . 0.0 110.22 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.415 ' HB2' ' HA ' ' B' ' 10' ' ' ARG . 33.3 p90 -155.67 177.79 10.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.92 161.49 20.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.489 HG22 ' N ' ' A' ' 7' ' ' LEU . 3.4 m -140.35 162.72 34.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 110.18 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' N ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -139.15 153.03 47.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.312 -0.867 . . . . 0.0 110.1 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -127.99 124.34 36.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' B' ' 5' ' ' PHE . 2.7 mp -122.23 147.76 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 2.4 ptt180 -110.59 48.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 0.0 110.217 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.82 140.63 5.78 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' GLU . 3.9 ttp180 -79.25 -56.0 4.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -1.133 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -43.34 -38.21 2.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.181 -0.949 . . . . 0.0 110.276 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 14.0 ttp-105 -82.73 -44.79 15.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.227 -0.921 . . . . 0.0 109.191 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.483 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 15.8 t80 -60.06 -53.72 54.41 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.386 -0.821 . . . . 0.0 109.668 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.1 mm-40 -42.88 -39.7 2.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.814 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 10.7 mm-40 -61.88 -48.4 80.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.713 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 18.5 m-85 -67.18 -50.89 59.42 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.206 -0.934 . . . . 0.0 109.95 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 ttt180 -43.89 -72.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 0.0 110.023 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ARG . 51.6 mt-10 -44.63 -51.36 9.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 8.3 tpt180 -55.71 -41.37 73.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.884 . . . . 0.0 109.509 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 26.4 t-20 -47.13 -49.2 22.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.0 109.473 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 26' ' ' GLU . 73.5 tt0 -59.44 -51.53 69.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 109.611 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.62 35.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.264 -0.897 . . . . 0.0 109.774 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.499 ' HB3' ' CD ' ' B' ' 14' ' ' ARG . 2.1 mt -63.74 -29.84 71.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.867 . . . . 0.0 109.725 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 31.7 tt0 -52.72 -47.59 67.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.236 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -40.12 78.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.61 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -47.1 -52.38 15.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 179.713 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' NH1' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -67.41 -36.73 81.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 110.017 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.84 65.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 1.7 mm100 -102.77 -82.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 110.21 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.09 86.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 0.0 110.171 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -111.53 155.22 16.29 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.195 -1.18 . . . . 0.0 110.169 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.57 -103.03 0.11 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -131.56 -170.81 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -1.166 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 10' ' ' ARG . 33.2 p90 -155.79 177.4 11.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.91 . . . . 0.0 110.217 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' ILE . 64.5 m-85 -118.5 161.77 19.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.906 . . . . 0.0 110.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.495 HG22 ' N ' ' B' ' 7' ' ' LEU . 3.2 m -140.83 162.76 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.495 ' N ' HG22 ' B' ' 6' ' ' THR . 0.6 OUTLIER -139.06 153.44 48.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 110.164 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.43 123.93 34.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 0.0 110.327 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.413 HG22 ' HG2' ' B' ' 14' ' ' ARG . 2.7 mp -122.02 147.6 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.127 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.415 ' HA ' ' HB2' ' A' ' 4' ' ' TYR . 2.4 ptt180 -110.4 49.11 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.229 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.79 140.58 5.76 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.0 ttp180 -79.37 -56.05 4.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -43.09 -40.28 3.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.499 ' CD ' ' HB3' ' A' ' 25' ' ' LEU . 13.8 ttp-105 -80.5 -44.97 18.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.0 109.626 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.468 ' CZ ' ' HD2' ' B' ' 19' ' ' ARG . 15.1 t80 -60.56 -52.99 62.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.908 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.0 mm-40 -43.19 -39.19 2.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.373 -0.829 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 10.7 mm-40 -62.05 -48.35 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 0.0 109.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 20.2 m-85 -68.15 -49.4 61.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 109.856 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.468 ' HD2' ' CZ ' ' B' ' 15' ' ' PHE . 1.1 ttt180 -44.74 -72.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 109.701 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 19' ' ' ARG . 51.4 mt-10 -45.01 -51.24 10.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 8.1 tpt180 -55.71 -41.1 73.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.605 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 25.3 t-20 -47.08 -49.03 22.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.593 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' B' ' 26' ' ' GLU . 73.2 tt0 -59.8 -50.88 72.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.375 -0.828 . . . . 0.0 109.626 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.96 47.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 109.782 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.471 ' HB3' ' CD ' ' A' ' 14' ' ' ARG . 2.1 mt -64.34 -29.62 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.0 109.737 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' B' ' 23' ' ' GLU . 32.0 tt0 -53.05 -46.78 68.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.188 -0.945 . . . . 0.0 109.366 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -39.65 75.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.574 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -47.3 -52.47 16.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.0 109.812 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -67.47 -36.5 81.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 110.086 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.72 65.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.053 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 33' ' ' GLY . 1.6 mm100 -102.83 -82.25 0.49 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.96 86.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.196 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . -111.58 155.18 16.32 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.26 -1.141 . . . . 0.0 110.205 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.26 0.552 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.6 178.39 38.38 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.11 107.48 1.24 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.265 -1.138 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -137.33 -176.2 4.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.76 164.29 22.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 7' ' ' LEU . 65.7 m -152.51 150.42 29.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.424 ' N ' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 3.0 mt-30 -122.62 134.25 54.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.0 110.298 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mp -119.17 158.25 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.113 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -9.86 9.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.109 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.1 141.28 16.14 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -82.76 -32.95 27.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -56.46 -43.25 79.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 0.0 110.448 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 2.8 ptm180 -82.74 -37.76 24.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.599 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 65.8 t80 -56.6 -50.89 70.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.288 -0.882 . . . . 0.0 109.575 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.86 -38.89 4.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.0 109.617 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 2.8 mm-40 -63.46 -46.99 83.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.845 . . . . 0.0 109.706 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 15.0 m-30 -67.48 -51.5 50.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.6 tpt85 -42.48 -65.97 0.41 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.175 -0.953 . . . . 0.0 109.994 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.57 -36.28 44.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.523 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.1 OUTLIER -64.36 -51.04 65.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.376 -0.827 . . . . 0.0 109.63 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ARG . 6.0 t-20 -44.56 -49.65 10.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.282 -0.886 . . . . 0.0 109.483 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.11 -56.52 17.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.82 . . . . 0.0 109.778 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.01 79.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 109.903 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' B' ' 14' ' ' ARG . 2.7 mm? -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.823 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.96 -50.0 58.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 0.0 109.811 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.46 -32.38 69.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.94 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -59.7 -40.22 87.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.909 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -77.59 -47.61 18.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 110.072 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.15 -28.94 2.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -75.48 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.219 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.87 64.52 5.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.266 -0.896 . . . . 0.0 110.196 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.84 -9.89 60.24 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptt . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.214 -1.168 . . . . 0.0 110.206 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.294 0.568 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.6 178.4 38.37 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.07 107.55 1.25 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -1.136 . . . . 0.0 110.187 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.4 -176.2 4.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.258 -0.901 . . . . 0.0 110.197 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -127.72 164.31 22.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.151 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 7' ' ' LEU . 63.8 m -152.43 150.41 29.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 110.301 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.424 ' N ' HG22 ' B' ' 6' ' ' THR . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -0.879 . . . . 0.0 110.049 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.58 134.34 54.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.176 -0.953 . . . . 0.0 110.361 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -119.25 158.11 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.93 -9.6 10.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 0.0 110.164 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.26 141.42 16.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -82.86 -33.53 27.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.69 -44.98 77.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 110.139 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 2.7 ptm180 -81.0 -38.19 27.96 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.963 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.446 ' N ' ' CG ' ' B' ' 14' ' ' ARG . 65.1 t80 -56.29 -50.81 70.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.151 -0.968 . . . . 0.0 109.694 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 15' ' ' PHE . 13.8 mm-40 -44.77 -38.62 4.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.262 -0.899 . . . . 0.0 109.78 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 2.8 mm-40 -63.81 -46.4 85.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 15.1 m-30 -68.8 -49.81 55.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 110.002 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.4 tpt85 -43.64 -65.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.814 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.25 -35.51 50.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.56 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -64.95 -50.76 65.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 0.0 109.645 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 21' ' ' ARG . 5.9 t-20 -44.77 -49.55 10.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.529 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.24 -56.37 19.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.388 -0.82 . . . . 0.0 109.748 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.19 78.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 109.793 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.97 -38.09 87.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -51.16 -49.52 60.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.322 -0.861 . . . . 0.0 109.875 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.01 -32.21 68.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 0.0 109.84 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -59.71 -40.11 86.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.419 ' OD1' ' HB3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -77.77 -47.6 18.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.124 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.85 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 110.122 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -75.49 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.81 64.56 5.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.143 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.04 -9.69 60.5 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 110.211 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.266 0.555 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.04 139.74 2.84 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -110.51 168.53 9.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -1.142 . . . . 0.0 110.021 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 5.9 p90 -140.24 -171.83 3.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 110.197 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.415 ' HB3' ' CD2' ' B' ' 15' ' ' PHE . 40.6 m-85 -118.85 178.88 4.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 110.213 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 98.6 m -157.49 155.7 30.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.21 163.23 31.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 110.244 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 24.8 mt-30 -136.36 133.83 37.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 110.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' B' ' 4' ' ' TYR . 3.2 mp -118.63 163.59 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -0.95 . . . . 0.0 110.106 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.5 ttt-85 -128.44 -0.04 5.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.262 -0.899 . . . . 0.0 110.383 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.32 143.89 15.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -75.39 -39.42 59.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -1.145 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -53.5 -40.48 65.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 4.2 mtp180 -83.08 -47.28 11.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 109.286 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CZ ' ' HD3' ' A' ' 19' ' ' ARG . 50.6 t80 -47.86 -48.01 31.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 1.2 mm-40 -44.98 -39.72 5.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.347 -0.846 . . . . 0.0 109.587 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -66.28 -48.51 70.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.7 m-85 -63.02 -59.1 5.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.283 -0.886 . . . . 0.0 110.182 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 12.1 tpt85 -43.33 -69.17 0.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.12 -0.987 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' ARG . 7.3 tt0 -43.8 -41.45 5.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.609 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.581 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.1 mpt_? -67.29 -43.75 80.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.341 -0.85 . . . . 0.0 109.657 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 6.9 t-20 -44.71 -41.54 6.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.852 . . . . 0.0 109.465 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.55 -50.2 14.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.74 79.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.838 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.9 mm? -60.12 -41.11 91.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.839 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.44 -46.85 56.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.736 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.55 -35.98 63.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 109.939 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.8 tptt -47.87 -46.73 31.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 0.0 110.077 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.11 -30.0 31.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.68 -8.04 55.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -0.86 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.51 -62.43 1.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.304 -0.872 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.49 -67.51 0.84 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 110.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 101.86 -46.04 1.31 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 33' ' ' GLY . 11.9 mtmm . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.268 -1.136 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.186 0.517 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.88 139.03 2.65 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -109.71 168.64 9.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -1.137 . . . . 0.0 110.214 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 6.3 p90 -140.58 -172.35 3.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.245 -0.909 . . . . 0.0 110.159 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.477 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 40.2 m-85 -118.37 179.37 4.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.256 -0.903 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 94.7 m -158.15 156.02 30.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.142 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.46 163.2 31.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.344 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 24.5 mt-30 -136.3 132.56 35.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.879 . . . . 0.0 110.171 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 3.2 mp -117.32 163.69 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.263 -0.898 . . . . 0.0 110.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ttt-85 -128.63 0.37 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 110.403 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.9 143.67 15.24 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -75.09 -40.09 60.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -1.102 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.53 -42.15 64.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.216 -0.928 . . . . 0.0 109.96 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 4.1 mtp180 -81.43 -48.27 12.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 0.0 109.677 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.506 ' CZ ' ' HD3' ' B' ' 19' ' ' ARG . 51.7 t80 -47.06 -47.72 22.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.08 -39.14 5.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.699 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 0.0 OUTLIER -66.95 -48.66 67.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.95 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.5 m-85 -62.83 -58.68 6.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 110.049 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.506 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 12.1 tpt85 -44.05 -69.06 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 19' ' ' ARG . 7.3 tt0 -43.94 -41.33 5.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.669 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.567 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.1 mpt_? -67.09 -43.47 82.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.0 109.716 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 6.7 t-20 -44.89 -41.21 6.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.618 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -77.02 -50.63 12.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 0.0 109.761 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.87 78.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.86 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.495 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 3.9 mm? -60.07 -41.1 91.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.45 -46.09 56.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.937 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.34 -35.74 61.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.87 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.7 tptt -48.05 -46.2 33.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.294 -0.878 . . . . 0.0 109.994 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.83 -29.6 29.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.15 -8.09 56.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 110.238 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -85.33 -62.49 1.52 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.44 -67.54 0.83 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.436 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . 101.79 -45.93 1.33 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' B' ' 33' ' ' GLY . 11.9 mtmm . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.272 -1.134 . . . . 0.0 110.197 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.231 0.539 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.08 72.14 0.06 OUTLIER Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -110.06 10.24 24.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.248 -1.148 . . . . 0.0 110.21 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -123.36 177.15 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.2 -0.938 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ILE . 97.9 m-85 -122.7 176.72 5.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 7' ' ' LEU . 11.3 m -153.91 163.84 39.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.287 -0.883 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' O ' HG22 ' B' ' 6' ' ' THR . 2.6 mt -150.89 167.18 28.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.288 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.36 132.87 47.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 110.129 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.514 HD11 ' CG ' ' A' ' 18' ' ' PHE . 5.2 mt -119.57 157.83 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' N ' HG23 ' A' ' 9' ' ' ILE . 16.8 ttt180 -136.86 89.64 2.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 110.222 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.93 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.75 -50.86 7.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -1.149 . . . . 0.0 110.233 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 12' ' ' ARG . 1.4 mt-10 -42.6 -43.81 3.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.89 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.526 ' CB ' HD13 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -82.58 -38.58 23.44 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.225 -0.922 . . . . 0.0 109.331 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -53.52 -48.13 69.31 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.334 -0.854 . . . . 0.0 109.461 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -45.66 -34.16 3.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.855 . . . . 0.0 109.2 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 54.2 mm-40 -69.35 -46.92 65.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.514 ' CG ' HD11 ' A' ' 9' ' ' ILE . 96.3 m-85 -69.58 -57.45 5.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.863 . . . . 0.0 109.951 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.4 tpt180 -42.83 -64.04 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.763 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -47.94 -44.02 29.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.2 OUTLIER -61.05 -37.1 81.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 0.0 109.468 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.0 t-20 -54.92 -58.86 5.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.384 -0.822 . . . . 0.0 109.561 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.51 -40.2 36.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.7 -47.34 80.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.434 -0.791 . . . . 0.0 109.511 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.519 HD13 ' CB ' ' B' ' 14' ' ' ARG . 0.8 OUTLIER -51.06 -43.94 61.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.0 109.34 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.7 tt0 -54.62 -53.53 53.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.361 -0.837 . . . . 0.0 109.723 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.41 -34.95 70.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -0.848 . . . . 0.0 109.894 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 15.6 tppt? -58.79 -35.02 72.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 109.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.56 -52.52 11.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 0.0 110.041 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.74 -8.64 37.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -60.0 2.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.202 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.59 -50.54 2.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.297 -0.877 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.84 -163.45 50.21 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.228 -1.16 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.224 0.535 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.98 72.13 0.06 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.94 10.02 24.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.253 -1.146 . . . . 0.0 110.196 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -123.23 177.11 5.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.325 -0.859 . . . . 0.0 110.269 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' ILE . 98.0 m-85 -122.67 176.55 5.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 0.0 110.204 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 7' ' ' LEU . 11.0 m -153.76 163.78 39.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.448 ' O ' HG22 ' A' ' 6' ' ' THR . 2.6 mt -150.82 167.06 28.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.27 132.62 47.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.281 -0.887 . . . . 0.0 110.11 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.516 HD11 ' CG ' ' B' ' 18' ' ' PHE . 5.2 mt -119.45 157.71 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.273 -0.892 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.461 ' N ' HG23 ' B' ' 9' ' ' ILE . 16.9 ttt180 -136.76 89.89 2.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.158 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' B' ' 12' ' ' ARG . . . 138.91 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -43.79 -50.8 7.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -1.173 . . . . 0.0 110.22 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 12' ' ' ARG . 1.4 mt-10 -42.61 -45.36 4.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.519 ' CB ' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -80.79 -38.85 27.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.73 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 67.2 t80 -53.37 -48.14 68.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.8 mm-40 -45.43 -33.63 2.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 0.0 109.419 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 54.1 mm-40 -69.96 -46.76 64.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.405 -0.809 . . . . 0.0 109.619 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.516 ' CG ' HD11 ' B' ' 9' ' ' ILE . 94.9 m-85 -70.03 -56.59 6.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.824 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.3 tpt180 -43.67 -63.89 0.76 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 109.63 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -48.14 -43.58 31.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.28 -0.888 . . . . 0.0 109.18 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.47 ' HG2' ' CE1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -61.71 -36.82 82.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 109.45 179.317 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -54.67 -59.14 5.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.545 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -40.15 33.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.293 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.89 -46.95 81.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.498 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.526 HD13 ' CB ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -51.35 -43.31 61.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 179.316 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.488 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.7 tt0 -55.28 -53.18 59.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.387 -0.82 . . . . 0.0 109.618 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.77 -34.77 69.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.748 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' B' ' 28' ' ' LYS . 15.4 tppt? -58.95 -34.79 72.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.9 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.97 -52.65 10.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -0.833 . . . . 0.0 109.994 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.67 36.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 110.222 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -59.92 2.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 110.225 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.64 -50.63 2.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.303 -0.873 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.94 -163.44 50.51 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.305 -1.115 . . . . 0.0 110.133 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.216 0.531 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.08 -87.44 2.0 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.99 19.26 15.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -1.155 . . . . 0.0 110.241 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -140.29 166.57 24.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -119.21 -174.9 2.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.4 m -157.42 153.34 27.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.536 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -142.65 155.82 44.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.911 . . . . 0.0 110.22 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -118.67 140.08 50.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.2 mm -120.99 168.26 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.286 -0.884 . . . . 0.0 110.306 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -149.34 29.69 0.78 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 0.0 110.316 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.09 115.1 0.64 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 9.2 ttp180 -62.42 -30.12 70.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 110.212 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -58.06 -55.05 40.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 15' ' ' PHE . 17.6 ptt180 -82.6 -34.22 27.72 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.2 -0.937 . . . . 0.0 109.514 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.566 ' CE1' ' CD1' ' B' ' 7' ' ' LEU . 82.9 t80 -54.9 -55.49 30.01 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.315 -0.866 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.0 mm-40 -43.58 -35.18 1.62 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.815 . . . . 0.0 109.659 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 17.8 mt-30 -67.47 -42.97 82.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.906 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -74.92 -54.5 7.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.312 -0.867 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 58.9 ttt180 -44.85 -63.11 0.99 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.151 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -52.62 -46.47 67.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.4 mmt180 -65.68 -42.9 90.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.93 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 5.1 t-20 -44.53 -48.46 10.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.74 -51.67 63.87 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.419 -0.801 . . . . 0.0 109.358 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.55 -47.88 80.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.372 -0.83 . . . . 0.0 109.204 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 1.1 mm? -61.57 -38.44 87.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.378 -0.826 . . . . 0.0 109.292 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.26 -43.85 43.26 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.35 -0.843 . . . . 0.0 109.236 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' GLN . 2.0 tp -69.21 -36.61 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.383 -0.823 . . . . 0.0 109.872 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 3.6 tptp -56.25 -53.51 56.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.062 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' ALA . 1.3 m-20 -72.4 -66.31 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 0.0 110.154 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.77 -31.82 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 0.0 110.184 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' GLY . 70.3 mt-30 -151.87 109.91 3.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 110.017 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -42.22 94.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 0.0 110.205 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -78.58 113.56 3.72 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.249 -1.147 . . . . 0.0 110.192 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.278 0.561 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.9 -87.39 2.0 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.08 19.41 14.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -1.165 . . . . 0.0 110.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -140.47 166.92 23.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.206 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -119.6 -174.81 2.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 55.7 m -157.4 153.5 27.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.1 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.566 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -142.99 154.83 44.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -117.64 140.64 49.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 15.2 mm -121.41 168.2 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 110.227 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.451 ' HG2' ' CZ ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -149.21 29.71 0.79 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 110.276 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.18 114.89 0.63 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.456 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 9.3 ttp180 -62.09 -30.91 71.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -1.124 . . . . 0.0 110.124 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.14 -57.11 14.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.903 . . . . 0.0 110.016 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' B' ' 15' ' ' PHE . 17.4 ptt180 -80.43 -34.61 35.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -0.931 . . . . 0.0 109.893 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.536 ' CE1' ' CD1' ' A' ' 7' ' ' LEU . 83.6 t80 -54.48 -55.81 25.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.822 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.23 -34.76 1.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.831 . . . . 0.0 109.885 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 17.9 mt-30 -68.09 -42.0 81.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.0 109.965 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.63 -52.76 9.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.0 110.0 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 58.1 ttt180 -46.09 -62.37 1.36 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 110.038 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -53.44 -45.94 69.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' ASN . 13.4 mmt180 -65.87 -43.11 89.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 5.2 t-20 -44.53 -48.33 10.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.331 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.88 -51.63 63.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.27 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.8 81.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.29 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 1.1 mm? -61.75 -38.1 86.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.401 -0.812 . . . . 0.0 109.366 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.67 -42.29 45.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.281 -0.887 . . . . 0.0 109.421 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' B' ' 31' ' ' GLN . 2.0 tp -70.71 -36.21 73.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.397 -0.814 . . . . 0.0 109.699 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 3.3 tptp -56.42 -53.08 61.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 0.0 110.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' B' ' 30' ' ' ALA . 1.3 m-20 -73.04 -66.34 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.221 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.81 -31.64 0.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 33' ' ' GLY . 70.0 mt-30 -152.05 109.57 3.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.881 . . . . 0.0 110.119 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 31' ' ' GLN . . . -42.14 94.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . -78.88 113.89 3.78 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.208 -1.172 . . . . 0.0 110.141 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.28 -133.48 6.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.97 128.0 13.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -1.153 . . . . 0.0 110.221 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 51.1 p90 -133.72 165.66 24.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 0.0 110.237 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' B' ' 12' ' ' ARG . 61.1 m-85 -120.85 165.58 14.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.946 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 ' O ' ' B' ' 7' ' ' LEU . 3.7 m -156.69 153.79 29.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.918 . . . . 0.0 110.163 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' B' ' 19' ' ' ARG . 1.3 mt -140.79 148.02 39.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 110.191 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.52 134.6 55.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.469 HG22 ' NH2' ' A' ' 14' ' ' ARG . 2.9 mp -120.47 153.48 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 110.186 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -107.57 -9.37 15.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.235 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.432 ' HA3' ' HD3' ' A' ' 14' ' ' ARG . . . -114.74 123.46 6.01 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' B' ' 5' ' ' PHE . 42.3 ttt180 -62.27 -47.24 85.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -1.168 . . . . 0.0 110.204 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.04 -33.78 2.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' NH2' HG22 ' A' ' 9' ' ' ILE . 20.1 mtp180 -82.75 -40.27 20.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.416 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 73.6 t80 -61.86 -50.25 73.01 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.441 -0.787 . . . . 0.0 110.0 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.4 mm-40 -43.52 -39.83 3.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.71 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -66.84 -46.0 76.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.342 -0.849 . . . . 0.0 109.911 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 10.1 m-30 -68.32 -53.14 26.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.892 . . . . 0.0 110.233 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.481 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 29.5 tpt180 -43.24 -58.11 2.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.168 -0.957 . . . . 0.0 109.8 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.79 -42.15 64.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.596 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.55 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -63.55 -48.12 78.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 0.0 109.809 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.472 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 20.7 t-20 -43.0 -51.95 5.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.873 . . . . 0.0 109.754 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.51 -50.5 72.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.21 66.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.891 . . . . 0.0 109.685 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 2.5 mm? -58.36 -35.97 72.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.3 -46.11 65.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.268 -0.895 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -74.86 -29.27 60.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.402 -0.812 . . . . 0.0 109.927 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -56.6 -61.72 2.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 109.967 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -27.56 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.06 -2.29 39.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.094 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 1.5 mt-30 -79.62 -67.05 0.8 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.199 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.39 28.42 1.47 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 0.0 110.171 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.75 -33.13 1.21 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.202 -1.175 . . . . 0.0 110.223 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.213 0.53 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.38 -133.53 6.51 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.88 128.18 13.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.172 -1.193 . . . . 0.0 110.238 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -133.71 165.81 24.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.229 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' B' ' 5' ' ' PHE . 61.9 m-85 -121.01 165.75 14.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m -156.83 153.83 28.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 6' ' ' THR . 1.3 mt -140.83 147.95 39.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 110.181 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.43 134.73 55.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.316 -0.865 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.475 HG22 ' NH2' ' B' ' 14' ' ' ARG . 2.9 mp -120.59 153.6 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 0.0 110.048 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -107.59 -10.06 15.76 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 110.203 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . 0.426 ' HA3' ' HD3' ' B' ' 14' ' ' ARG . . . -114.24 123.52 6.09 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.544 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 42.6 ttt180 -62.08 -47.81 83.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.224 -1.162 . . . . 0.0 110.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 12' ' ' ARG . 2.1 tt0 -43.98 -35.91 2.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.895 . . . . 0.0 110.018 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.475 ' NH2' HG22 ' B' ' 9' ' ' ILE . 19.7 mtp180 -80.78 -40.48 25.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.895 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' B' ' 19' ' ' ARG . 73.8 t80 -61.84 -50.05 73.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.307 -0.871 . . . . 0.0 110.027 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.35 -39.83 3.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.822 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.06 -45.9 75.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.899 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 10.0 m-30 -68.7 -52.2 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.486 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 29.5 tpt180 -44.36 -57.02 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.142 -0.974 . . . . 0.0 109.76 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.99 -41.48 67.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.675 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.57 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -63.98 -47.98 78.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.404 -0.81 . . . . 0.0 109.857 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 21' ' ' ARG . 20.8 t-20 -43.24 -51.73 6.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.349 -0.844 . . . . 0.0 109.776 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -57.52 -50.32 73.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.869 . . . . 0.0 109.613 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.23 -52.06 66.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.334 -0.854 . . . . 0.0 109.725 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 2.6 mm? -58.53 -35.47 72.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 109.639 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.63 -44.86 66.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 tp -76.37 -28.76 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.376 -0.828 . . . . 0.0 109.789 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -57.06 -60.81 3.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.402 -0.811 . . . . 0.0 109.911 179.715 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -26.81 61.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -0.909 . . . . 0.0 110.021 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.74 -2.46 43.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 110.157 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' B' ' 28' ' ' LYS . 1.6 mt-30 -79.42 -66.89 0.81 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.46 28.35 1.5 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.9 . . . . 0.0 110.223 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.7 -33.13 1.21 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.226 -1.161 . . . . 0.0 110.264 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.258 0.551 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.79 -103.13 0.21 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -107.25 3.72 25.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.241 -1.152 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -159.17 -169.85 2.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 13.7 m-85 -135.16 161.38 35.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.312 -0.867 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -134.48 129.01 34.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.941 . . . . 0.0 110.423 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' HB3' ' B' ' 7' ' ' LEU . 1.7 tt -118.94 143.28 47.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.275 -0.891 . . . . 0.0 109.975 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -128.55 137.94 51.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.338 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.427 HD13 HD21 ' A' ' 7' ' ' LEU . 2.4 mp -130.05 151.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.118 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 12.2 ttt180 -120.58 -1.01 10.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.189 -0.945 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.85 126.74 7.63 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.41 75.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -1.17 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.05 -35.27 79.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.517 ' CB ' HD13 ' B' ' 25' ' ' LEU . 9.1 mpt_? -82.82 -40.12 20.79 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.316 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -51.03 -46.74 61.68 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.056 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.99 -37.45 4.04 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.372 -0.83 . . . . 0.0 109.005 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -65.49 -51.17 61.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.423 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' B' ' 21' ' ' ARG . 96.7 m-85 -69.43 -51.99 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 109.617 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' PHE . 2.5 tpt180 -43.1 -66.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ARG . 89.8 mt-10 -44.7 -49.57 10.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.563 ' HG3' ' CZ ' ' B' ' 18' ' ' PHE . 4.5 tpt180 -56.66 -38.2 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.389 -0.819 . . . . 0.0 109.454 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -52.54 -50.89 61.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 109.357 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -47.28 82.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 109.39 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -50.3 70.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.399 -0.813 . . . . 0.0 109.503 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -47.12 18.22 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.552 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -53.8 -52.44 60.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.808 . . . . 0.0 109.703 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -26.14 64.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.845 . . . . 0.0 109.829 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -74.85 -29.69 61.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 0.0 110.005 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.88 -44.77 30.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.984 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -17.43 4.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 109.945 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -62.83 1.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 110.146 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.14 54.17 2.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 110.193 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.5 -148.63 20.98 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.224 -1.162 . . . . 0.0 110.247 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.24 0.543 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.89 -103.24 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.28 3.96 26.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -1.153 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -159.26 -169.59 2.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.23 -0.918 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 13.6 m-85 -135.53 161.22 36.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -134.43 129.09 34.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.165 -0.959 . . . . 0.0 110.429 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . 1.7 tt -118.97 143.42 47.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.336 -0.853 . . . . 0.0 109.894 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -128.65 137.85 51.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.098 -1.001 . . . . 0.0 110.362 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.414 HD13 HD21 ' B' ' 7' ' ' LEU . 2.4 mp -129.86 151.79 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.902 . . . . 0.0 110.191 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' B' ' 10' ' ' ARG . 12.0 ttt180 -120.66 -0.55 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.35 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.31 126.53 7.47 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.66 -37.17 76.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -1.138 . . . . 0.0 110.155 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.16 -36.82 83.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.942 . . . . 0.0 110.042 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' B' ' 14' ' ' ARG . 9.2 mpt_? -81.06 -40.78 23.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 109.678 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' B' ' 16' ' ' GLU . 39.7 t80 -50.63 -46.86 58.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.0 109.31 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.2 mm-40 -44.53 -37.55 3.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.868 . . . . 0.0 109.282 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.46 -50.8 63.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.51 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 94.8 m-85 -70.31 -50.95 33.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.469 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' B' ' 18' ' ' PHE . 2.4 tpt180 -43.79 -66.13 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.506 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 19' ' ' ARG . 89.5 mt-10 -45.36 -49.08 13.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 4.7 tpt180 -56.92 -37.93 72.17 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.418 -0.801 . . . . 0.0 109.493 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.77 -51.09 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.357 -0.839 . . . . 0.0 109.323 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.42 -47.17 82.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.361 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.0 109.457 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.517 HD13 ' CB ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -46.33 -47.12 18.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.401 -0.812 . . . . 0.0 109.471 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.401 ' N ' HD21 ' B' ' 25' ' ' LEU . 1.2 tt0 -53.9 -52.39 60.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.81 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -26.14 64.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.333 -0.854 . . . . 0.0 109.832 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' B' ' 28' ' ' LYS . 0.7 OUTLIER -74.69 -29.89 61.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.376 -0.827 . . . . 0.0 109.996 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.507 ' OD1' ' NH1' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -76.68 -44.8 32.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.011 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -17.41 4.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.981 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -62.78 1.53 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 110.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.19 54.09 2.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 110.244 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.39 -148.59 20.71 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' ' CE1' ' A' ' 4' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.232 0.539 . . . . 0.0 110.175 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.59 -23.55 8.9 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -113.55 -17.74 12.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -1.144 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.499 ' CE1' ' HA ' ' A' ' 1' ' ' ASP . 26.4 p90 -137.23 166.95 22.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -118.88 171.96 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 109.964 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 7' ' ' LEU . 47.1 m -158.83 162.93 37.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 110.4 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' B' ' 15' ' ' PHE . 2.0 mt -147.86 165.16 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.143 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -126.72 129.83 49.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' B' ' 5' ' ' PHE . 35.7 mt -126.41 148.1 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.278 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -118.42 98.57 6.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.895 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.41 135.79 3.64 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.1 -21.0 33.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -1.127 . . . . 0.0 110.26 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -61.47 -48.02 83.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 8.6 ptm180 -83.39 -40.7 19.04 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 109.682 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 88.8 t80 -51.04 -49.72 59.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 3.7 mm-40 -45.43 -36.2 4.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.332 -0.855 . . . . 0.0 109.7 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -68.46 -47.22 67.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.302 -0.874 . . . . 0.0 110.048 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.503 ' CE2' ' HG ' ' B' ' 25' ' ' LEU . 88.1 m-85 -64.18 -55.34 22.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HD2' HD22 ' B' ' 7' ' ' LEU . 9.2 tpt180 -43.53 -58.44 2.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.03 -1.043 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.36 -48.58 25.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.842 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.574 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 2.9 mmt180 -57.91 -49.86 75.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.301 -0.874 . . . . 0.0 109.927 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 1.7 t30 -40.64 -48.1 2.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.66 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.53 -56.61 16.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.0 109.823 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.83 76.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.0 109.733 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.584 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.2 mm? -59.49 -44.51 93.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -47.39 11.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.171 -0.956 . . . . 0.0 109.268 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.6 mt -66.73 -48.28 69.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.77 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' CD ' ' HB2' ' A' ' 32' ' ' ALA . 1.4 tppp? -43.03 -36.7 1.67 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.236 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.2 -42.51 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.386 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.06 7.89 12.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 110.462 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.5 mt-30 -135.01 -77.48 0.45 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' HB2' ' CD ' ' A' ' 28' ' ' LYS . . . -69.77 -68.2 0.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 110.185 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 65.52 78.1 0.24 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.2 mttt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.266 -1.138 . . . . 0.0 110.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.483 ' HA ' ' CE1' ' B' ' 4' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.313 0.578 . . . . 0.0 110.222 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.5 -23.56 8.95 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -113.53 -17.76 12.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.257 -1.143 . . . . 0.0 110.237 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' B' ' 1' ' ' ASP . 26.5 p90 -137.37 166.51 23.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.261 -0.899 . . . . 0.0 110.226 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ILE . 38.8 m-85 -118.36 172.11 7.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.873 . . . . 0.0 109.994 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 7' ' ' LEU . 46.8 m -158.99 162.83 36.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 0.0 110.319 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.46 HD22 ' HD2' ' A' ' 19' ' ' ARG . 2.0 mt -147.75 165.33 30.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.1 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -126.83 129.49 48.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.903 . . . . 0.0 110.073 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.407 HG22 ' HG3' ' B' ' 14' ' ' ARG . 35.2 mt -126.21 147.97 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.307 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.28 98.77 6.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.25 135.53 3.61 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -1.148 . . . . 0.0 110.232 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -60.9 -48.77 80.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' B' ' 15' ' ' PHE . 8.4 ptm180 -82.73 -40.66 20.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 110.056 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' B' ' 14' ' ' ARG . 89.2 t80 -51.14 -49.42 60.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.961 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' B' ' 12' ' ' ARG . 3.7 mm-40 -45.36 -36.09 3.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -68.54 -46.89 68.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 110.132 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CE2' ' HG ' ' A' ' 25' ' ' LEU . 90.2 m-85 -65.36 -53.33 45.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' B' ' 18' ' ' PHE . 9.5 tpt180 -45.06 -56.7 4.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.56 -47.58 49.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 109.865 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.498 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.0 mmt180 -58.51 -48.65 80.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.937 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 1.7 t30 -41.99 -47.31 4.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.453 -0.779 . . . . 0.0 109.848 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.45 -55.64 22.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 0.0 109.735 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -49.52 77.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 3.2 mm? -59.65 -44.51 93.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.765 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.07 -46.8 11.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 109.415 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.6 mt -67.33 -48.32 67.88 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.365 -0.834 . . . . 0.0 109.685 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' B' ' 32' ' ' ALA . 1.4 tppp? -43.0 -36.48 1.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 110.119 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.53 -42.41 22.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.272 -0.893 . . . . 0.0 110.389 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.18 7.73 12.85 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.0 110.433 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.4 mt-30 -134.83 -77.44 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.179 -0.95 . . . . 0.0 110.286 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.478 ' HB2' ' CD ' ' B' ' 28' ' ' LYS . . . -69.83 -68.02 0.44 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.878 . . . . 0.0 110.252 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 34' ' ' LYS . . . 65.3 78.32 0.22 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 33' ' ' GLY . 16.2 mttt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.287 -1.125 . . . . 0.0 110.246 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.249 0.547 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.46 -27.7 7.89 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.47 93.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.251 -1.146 . . . . 0.0 110.141 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.37 163.48 37.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 0.0 110.289 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 71.1 m-85 -134.19 171.46 14.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.25 -0.906 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 t -149.44 135.2 18.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.488 HD23 ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -130.12 149.86 51.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.863 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.428 ' O ' HD11 ' A' ' 9' ' ' ILE . 3.3 mt-30 -134.68 147.13 50.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.165 -0.959 . . . . 0.0 110.213 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.428 HD11 ' O ' ' A' ' 8' ' ' GLN . 41.3 mm -125.71 156.13 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.28 28.21 8.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.18 155.79 27.12 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.15 -26.39 23.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -1.13 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.67 -41.19 97.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.532 ' HG2' ' CB ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.26 -41.46 18.3 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.247 -0.908 . . . . 0.0 109.444 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 51.4 t80 -48.92 -46.01 42.34 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.288 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.7 mm-40 -45.21 -34.4 2.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.372 -0.83 . . . . 0.0 109.142 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.2 mm-40 -72.82 -46.48 52.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.35 -0.844 . . . . 0.0 109.548 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CE1' HD23 ' A' ' 7' ' ' LEU . 95.6 m-85 -65.48 -59.14 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.376 -0.828 . . . . 0.0 110.056 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 2.4 tpt180 -45.5 -48.86 14.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.927 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.1 -51.07 45.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.317 -0.864 . . . . 0.0 109.804 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 1.2 mmp_? -59.16 -44.05 92.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 109.821 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t-20 -43.81 -51.8 7.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.88 -46.99 87.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.433 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -59.2 -41.68 89.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.327 -0.858 . . . . 0.0 109.614 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 3.3 tt -49.85 -57.56 7.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -47.45 -48.77 26.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -27.6 64.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.431 -0.793 . . . . 0.0 110.08 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.531 ' CG ' ' HD3' ' B' ' 14' ' ' ARG . 4.3 tptp -79.93 -42.17 24.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 0.0 110.051 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' OD2' ' HG ' ' A' ' 25' ' ' LEU . 4.0 m-20 -58.47 -46.0 87.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 109.891 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -31.31 5.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 110.002 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' LYS . 17.3 mt-30 -112.05 137.17 50.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 0.0 110.04 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 47.97 32.18 2.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.125 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.64 -170.17 15.47 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.263 -1.139 . . . . 0.0 110.257 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.2 0.524 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.56 -27.74 7.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.37 93.98 0.13 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.232 -1.158 . . . . 0.0 110.155 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.21 163.62 37.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.931 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 72.2 m-85 -134.12 171.42 14.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -149.72 135.0 18.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.474 HD23 ' CE1' ' B' ' 18' ' ' PHE . 0.7 OUTLIER -130.27 149.51 51.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.427 ' O ' HD11 ' B' ' 9' ' ' ILE . 3.2 mt-30 -134.25 147.5 50.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 110.23 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.427 HD11 ' O ' ' B' ' 8' ' ' GLN . 41.1 mm -125.86 156.32 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.902 . . . . 0.0 110.169 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.44 28.33 8.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.0 110.154 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.28 155.82 27.15 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.19 -27.08 23.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -1.152 . . . . 0.0 110.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.78 -42.46 97.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.078 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.531 ' HD3' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -82.04 -41.85 20.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.872 179.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.2 t80 -48.4 -46.11 36.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.481 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.7 mm-40 -44.85 -34.42 2.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.908 . . . . 0.0 109.354 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 4.3 mm-40 -73.0 -45.57 57.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.653 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 95.7 m-85 -66.73 -58.46 5.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.854 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 2.4 tpt180 -46.24 -47.96 17.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.776 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.14 -50.68 58.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.882 . . . . 0.0 109.86 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.2 mmp_? -59.59 -43.28 93.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.26 -0.9 . . . . 0.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 5.7 t-20 -44.53 -51.31 8.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.599 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.66 -45.69 93.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 109.46 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -60.39 -41.01 92.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.0 109.538 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.532 ' CB ' ' HG2' ' A' ' 14' ' ' ARG . 3.2 tt -50.12 -57.32 7.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.318 -0.864 . . . . 0.0 109.469 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -47.7 -47.86 29.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.449 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -27.59 63.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.8 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 3.0 tptp -79.66 -42.19 25.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 0.0 109.97 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.451 ' OD2' ' HG ' ' B' ' 25' ' ' LEU . 4.1 m-20 -58.99 -46.07 89.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.992 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.79 -31.52 5.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.929 . . . . 0.0 110.012 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -111.89 136.9 50.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 0.0 110.067 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 48.11 32.21 2.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.199 -0.938 . . . . 0.0 110.127 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.63 -170.3 15.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.228 -1.16 . . . . 0.0 110.233 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 54.9 p30 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.242 0.544 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.24 109.37 0.32 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -139.5 61.82 1.54 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -1.106 . . . . 0.0 110.177 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 150.45 51.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -120.19 156.92 30.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.508 ' CG2' ' N ' ' A' ' 7' ' ' LEU . 16.0 m -141.19 170.72 15.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 110.381 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' N ' ' CG2' ' A' ' 6' ' ' THR . 0.6 OUTLIER -153.12 153.37 32.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.249 -0.907 . . . . 0.0 110.051 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.31 132.8 52.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 0.0 110.159 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.471 ' HB ' ' HB2' ' B' ' 5' ' ' PHE . 3.3 mp -122.86 151.96 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' N ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -127.15 52.59 1.79 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.39 148.86 8.68 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -84.07 -27.9 27.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -1.163 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -73.35 -35.01 65.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 110.158 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 2.9 mtt85 -82.78 -38.4 23.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.29 -0.881 . . . . 0.0 109.215 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -53.39 -42.35 66.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.268 -0.895 . . . . 0.0 109.307 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.1 -40.1 44.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.339 -0.851 . . . . 0.0 109.271 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -63.34 -44.73 94.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.35 179.299 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' ARG . 93.7 m-85 -70.64 -57.05 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 109.912 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.7 ttt85 -42.04 -68.06 0.22 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 109.974 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.25 -44.93 16.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 0.0 109.5 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -58.99 -39.68 82.52 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 109.64 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.2 t-20 -53.81 -49.95 67.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 109.62 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.47 -43.64 75.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.294 -0.879 . . . . 0.0 109.631 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -56.6 -40.38 75.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.822 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 1.5 tt -57.62 -54.45 46.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.671 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -46.64 -56.97 5.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.0 109.688 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.6 -35.34 77.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.375 -0.828 . . . . 0.0 109.827 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ALA . 4.4 tptt -63.33 -38.3 90.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 110.013 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' ' NE ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -74.86 -51.57 13.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.973 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.48 -21.96 2.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.3 -0.875 . . . . 0.0 109.993 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -94.87 141.09 29.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.61 32.92 20.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 110.145 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 -148.53 7.2 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.213 -1.169 . . . . 0.0 110.212 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' B' ' 1' ' ' ASP . 54.3 p30 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.297 0.57 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.22 109.62 0.33 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -139.66 61.49 1.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -1.142 . . . . 0.0 110.16 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 150.56 51.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 110.294 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.471 ' HB2' ' HB ' ' A' ' 9' ' ' ILE . 76.4 m-85 -120.21 157.4 29.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.908 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.514 HG23 ' N ' ' B' ' 7' ' ' LEU . 15.1 m -141.73 171.03 14.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.514 ' N ' HG23 ' B' ' 6' ' ' THR . 0.6 OUTLIER -153.27 153.61 33.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.131 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.52 132.44 52.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.184 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.445 HG23 ' N ' ' B' ' 10' ' ' ARG . 3.3 mp -122.51 152.02 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.445 ' N ' HG23 ' B' ' 9' ' ' ILE . 0.0 OUTLIER -127.23 52.67 1.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.53 148.63 8.51 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -83.69 -28.6 28.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -1.143 . . . . 0.0 110.226 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.46 -36.49 68.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.173 -0.954 . . . . 0.0 109.929 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 2.8 mtt85 -81.37 -38.49 26.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.905 . . . . 0.0 109.627 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -53.39 -42.19 66.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.0 109.539 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.62 -40.85 40.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -62.67 -44.85 95.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.483 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 93.9 m-85 -70.86 -56.19 6.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 109.802 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 ttt85 -42.88 -67.77 0.25 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 0.0 109.773 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.62 -44.47 18.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.2 -0.937 . . . . 0.0 109.492 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -39.87 84.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -53.44 -50.03 66.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.859 . . . . 0.0 109.642 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.49 -43.64 75.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.285 -0.884 . . . . 0.0 109.717 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -56.79 -40.05 75.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.827 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' B' ' 22' ' ' ASN . 1.5 tt -57.77 -54.53 45.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.331 -0.855 . . . . 0.0 109.729 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -46.6 -56.98 5.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.711 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.66 -35.15 76.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.795 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' B' ' 24' ' ' ALA . 4.3 tptt -63.46 -38.36 90.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.94 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.46 ' OD2' ' NE ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -74.91 -51.53 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.343 -0.848 . . . . 0.0 110.022 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.69 -21.72 2.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 109.984 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -95.03 141.05 29.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.884 . . . . 0.0 110.05 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.66 32.93 20.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.224 -0.922 . . . . 0.0 110.135 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.87 -148.49 7.19 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.194 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.272 0.558 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.11 157.61 28.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.69 -38.08 5.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.286 -1.126 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 4' ' ' TYR . 10.8 p90 -125.44 177.46 6.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.253 -0.904 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.57 -179.86 4.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -152.13 143.34 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 0.0 110.234 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -129.95 140.76 50.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.178 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -128.16 134.46 49.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 mt -130.07 142.41 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.175 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 45.0 1.25 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 110.144 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.9 133.48 3.73 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.5 -48.93 29.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.01 -36.64 60.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 110.269 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.509 ' HG3' ' CD2' ' B' ' 25' ' ' LEU . 20.0 mmt180 -83.07 -48.57 10.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.371 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD2' ' CG ' ' B' ' 5' ' ' PHE . 10.4 t80 -47.89 -46.54 31.68 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.66 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -45.88 -38.18 7.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.0 109.41 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 17.4 mt-30 -67.69 -47.31 69.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.373 -0.829 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 96.5 m-85 -72.02 -54.4 10.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.307 -0.871 . . . . 0.0 109.78 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 7.7 ttp180 -46.72 -65.81 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.223 -0.923 . . . . 0.0 109.802 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -48.21 -41.6 27.79 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.209 -0.932 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 3.9 tpt180 -60.62 -42.77 97.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.564 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 18.1 t-20 -51.13 -50.92 57.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.401 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -52.13 -52.54 50.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.0 109.168 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.86 38.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.291 -0.881 . . . . 0.0 109.006 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 1.7 tt -56.86 -57.74 11.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.466 -0.771 . . . . 0.0 109.304 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.39 -36.47 9.74 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.245 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -80.18 -44.51 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 109.934 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 6.4 tppt? -65.47 -35.62 81.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -50.23 43.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -14.79 63.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 3.1 mt-30 -80.93 -69.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.209 -0.932 . . . . 0.0 110.142 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.89 61.19 3.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 0.0 110.136 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.67 -61.78 4.05 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.19 -1.183 . . . . 0.0 110.245 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 47.7 t0 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.267 0.556 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.97 157.55 28.35 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.66 -37.96 5.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.298 -1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' B' ' 4' ' ' TYR . 10.8 p90 -125.61 177.45 6.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.536 ' CG ' ' CD2' ' A' ' 15' ' ' PHE . 32.5 m-85 -120.58 -179.88 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.253 -0.905 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -152.14 143.21 23.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.211 -0.931 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -129.73 141.05 50.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.098 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -128.33 134.42 48.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -0.942 . . . . 0.0 110.224 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 6.6 mt -129.94 142.52 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.6 45.0 1.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -0.91 . . . . 0.0 110.199 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -155.87 133.41 3.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -73.45 -49.62 25.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -1.186 . . . . 0.0 110.196 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.91 -38.8 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.992 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -81.09 -49.28 11.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.363 -0.836 . . . . 0.0 109.827 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' B' ' 16' ' ' GLU . 10.4 t80 -47.34 -46.49 25.59 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 109.775 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.4 mt-10 -45.51 -38.22 6.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 17.7 mt-30 -67.7 -47.13 70.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.698 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -72.59 -53.67 11.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 7.7 ttp180 -47.26 -65.52 0.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.676 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -48.48 -41.61 30.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 4.0 tpt180 -60.5 -42.82 97.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.382 -0.824 . . . . 0.0 109.539 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 18.1 t-20 -51.24 -50.71 58.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 109.415 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.41 -52.02 56.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.31 -33.56 42.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.509 ' CD2' ' HG3' ' A' ' 14' ' ' ARG . 1.6 tt -56.76 -57.79 10.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.484 -0.76 . . . . 0.0 109.473 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.42 -35.4 8.4 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.418 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -81.26 -44.46 17.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 0.0 109.739 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 6.0 tppt? -65.55 -35.58 81.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.343 -0.848 . . . . 0.0 109.938 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -50.28 40.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.7 -14.85 63.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.272 -0.892 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 3.0 mt-30 -80.91 -69.01 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.97 61.12 3.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.239 -0.913 . . . . 0.0 110.185 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.56 -61.74 4.02 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.243 -1.151 . . . . 0.0 110.237 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.278 0.561 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.26 144.35 9.08 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.64 29.56 5.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.293 -1.122 . . . . 0.0 110.175 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.574 ' CZ ' ' HB3' ' B' ' 10' ' ' ARG . 0.7 OUTLIER -147.89 161.92 40.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.913 . . . . 0.0 110.279 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.18 117.47 17.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.035 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -123.83 136.78 54.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' CD2' ' ND2' ' B' ' 22' ' ' ASN . 4.6 mt -122.4 156.82 33.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.931 . . . . 0.0 110.164 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -119.95 131.58 55.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.245 -0.909 . . . . 0.0 110.282 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' B' ' 4' ' ' TYR . 4.3 mt -125.34 149.4 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.264 -0.898 . . . . 0.0 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.54 ' HB3' ' CZ ' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -124.91 44.82 2.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.237 -0.914 . . . . 0.0 110.306 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.91 105.48 0.26 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -46.71 -51.86 15.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -1.166 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.04 -35.85 7.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 47.7 mtm180 -83.16 -53.51 5.73 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 0.0 109.159 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 16' ' ' GLU . 39.0 t80 -47.33 -46.62 25.58 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.731 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' PHE . 11.1 mt-10 -44.27 -40.4 5.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.39 -0.819 . . . . 0.0 109.507 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.9 mm-40 -66.65 -43.96 83.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.301 -0.874 . . . . 0.0 109.482 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 98.7 m-85 -69.75 -54.8 12.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -0.9 . . . . 0.0 109.886 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' CD ' ' CE2' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -45.08 -58.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.0 109.668 179.605 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -41.6 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -0.879 . . . . 0.0 109.581 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.602 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -68.77 -46.14 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.452 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 5.6 t-20 -43.33 -42.02 4.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.607 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -80.54 -48.21 13.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.12 97.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.585 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 4.3 mm? -63.55 -49.21 74.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.824 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.7 tm-20 -44.93 -46.25 10.87 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.588 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.85 -31.89 69.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.71 -37.57 87.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 109.902 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' HB2' ' HD3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -71.42 -47.43 55.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.137 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.7 -10.04 24.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.931 . . . . 0.0 110.184 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -100.88 -27.05 13.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.864 . . . . 0.0 110.054 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.97 -4.16 22.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 110.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.25 -179.5 27.01 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.207 -1.173 . . . . 0.0 110.22 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.276 0.56 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.09 144.32 9.08 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 29.43 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -1.138 . . . . 0.0 110.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.54 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -147.83 161.89 40.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.232 -0.918 . . . . 0.0 110.311 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -133.14 117.51 17.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -123.94 136.72 54.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.934 . . . . 0.0 110.263 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.29 157.14 32.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.198 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -120.19 131.77 55.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 4.3 mt -125.49 149.48 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.252 -0.905 . . . . 0.0 110.222 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.01 44.78 2.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.243 -0.911 . . . . 0.0 110.272 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.82 105.45 0.26 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -52.98 12.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -1.13 . . . . 0.0 110.147 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -45.44 -38.54 6.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.942 . . . . 0.0 109.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 46.9 mtm180 -80.49 -55.07 5.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.573 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' B' ' 16' ' ' GLU . 38.2 t80 -46.28 -46.44 17.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.881 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 11.0 mt-10 -44.1 -40.04 4.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 109.574 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 5.0 mm-40 -67.05 -43.27 83.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.654 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 98.5 m-85 -70.26 -54.45 12.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.0 109.786 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.416 ' CD ' ' CE2' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -45.81 -57.87 3.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.639 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.92 -41.55 62.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.58 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -68.94 -45.83 69.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 109.663 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 5.6 t-20 -43.54 -41.83 4.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.61 -48.62 12.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.4 96.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.548 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 4.3 mm? -63.11 -49.57 73.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.826 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' B' ' 25' ' ' LEU . 1.7 tm-20 -44.63 -45.98 9.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.689 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 5.5 tt -70.37 -31.6 68.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.861 . . . . 0.0 109.777 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.99 -37.19 86.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.364 -0.835 . . . . 0.0 109.912 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.457 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -71.78 -47.38 53.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.121 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -10.33 27.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.896 . . . . 0.0 110.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 3.2 mt-30 -100.46 -27.14 13.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 110.037 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.77 -4.25 22.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.132 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.31 -179.33 26.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.224 -1.162 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.302 0.572 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.33 140.62 3.0 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.26 62.05 1.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.303 -1.116 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.5 ' CB ' ' HA ' ' B' ' 10' ' ' ARG . 38.9 p90 -154.04 177.45 11.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.29 178.43 5.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.31 134.27 14.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.2 tp -118.89 134.64 55.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.886 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.14 115.91 25.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 0.0 110.211 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 7' ' ' LEU . 3.1 mp -119.05 128.69 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -95.3 40.65 1.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.0 110.216 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.6 124.05 1.36 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -66.48 -41.74 88.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -1.155 . . . . 0.0 110.208 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' HB3' ' OD1' ' B' ' 29' ' ' ASP . 0.9 OUTLIER -47.02 -44.63 20.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.189 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' B' ' 25' ' ' LEU . 21.0 mtp180 -83.24 -40.56 19.45 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.278 -0.889 . . . . 0.0 109.76 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLU . 51.4 t80 -60.68 -51.78 67.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.402 -0.811 . . . . 0.0 110.166 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' PHE . 4.7 mm-40 -42.99 -40.06 2.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 0.0 109.562 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 4.6 mm-40 -65.2 -45.61 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.485 -0.759 . . . . 0.0 109.764 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 17.1 m-30 -69.94 -55.28 10.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.111 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' PHE . 4.6 ttt180 -41.18 -67.54 0.24 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.221 -0.924 . . . . 0.0 110.206 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.9 -43.97 29.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -62.21 -44.7 95.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 23.1 t-20 -44.15 -49.57 8.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.276 -0.89 . . . . 0.0 109.571 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.63 -51.04 70.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.306 -0.871 . . . . 0.0 109.867 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.13 -53.86 50.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 109.756 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HG ' ' CZ ' ' B' ' 18' ' ' PHE . 3.1 mm? -52.0 -44.84 64.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.674 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -45.95 -54.18 8.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.898 . . . . 0.0 109.457 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -38.52 77.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 109.905 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 12.2 tppt? -47.52 -55.98 8.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 109.903 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -47.57 83.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.88 . . . . 0.0 110.127 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.69 14.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.329 -0.857 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.35 -61.95 1.5 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 0.0 110.318 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.45 47.6 1.13 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.265 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.99 8.5 42.39 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.18 -1.188 . . . . 0.0 110.209 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.28 0.562 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.34 140.76 3.04 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.41 61.92 1.63 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -1.12 . . . . 0.0 110.245 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 10' ' ' ARG . 39.0 p90 -153.85 177.52 10.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -126.39 178.19 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.17 133.49 14.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.498 ' CD2' HD11 ' B' ' 9' ' ' ILE . 21.1 tp -117.93 134.96 54.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.2 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.45 115.93 25.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 0.0 110.166 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.498 HD11 ' CD2' ' B' ' 7' ' ' LEU . 3.1 mp -119.16 128.79 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.897 . . . . 0.0 110.216 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -95.48 40.77 1.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.67 124.19 1.38 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.426 ' HG3' ' HG2' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -66.64 -41.62 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -1.138 . . . . 0.0 110.177 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -44.93 20.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.0 110.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 20.3 mtp180 -83.09 -40.31 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 110.027 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.4 t80 -60.97 -51.29 69.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 110.102 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' B' ' 15' ' ' PHE . 4.7 mm-40 -43.67 -37.63 2.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 109.735 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 4.6 mm-40 -68.08 -43.43 78.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.846 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 17.5 m-30 -72.4 -52.92 13.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.013 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' B' ' 18' ' ' PHE . 4.6 ttt180 -43.1 -67.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.0 109.907 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -47.59 -43.82 25.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.615 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -62.14 -44.29 96.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.354 -0.841 . . . . 0.0 109.745 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.541 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 22.9 t-20 -44.56 -49.17 10.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.686 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -62.21 -50.8 70.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.321 -0.862 . . . . 0.0 109.645 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.14 47.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.781 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 3.1 mm? -51.81 -44.29 63.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -0.848 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.53 -53.16 11.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.196 -0.94 . . . . 0.0 109.679 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.7 -38.05 73.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.802 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 12.3 tppt? -47.81 -55.47 9.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 109.825 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.408 ' OD1' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.96 -47.28 83.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.311 -0.868 . . . . 0.0 110.158 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.97 -26.71 16.08 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -92.23 -61.77 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.273 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.73 47.67 1.12 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.213 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.12 8.53 41.99 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.234 -1.156 . . . . 0.0 110.184 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.234 0.54 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.17 166.51 15.03 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -128.74 -41.45 1.49 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -1.147 . . . . 0.0 110.208 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 24.7 p90 -140.55 -174.02 3.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' CZ ' ' HD2' ' B' ' 12' ' ' ARG . 25.8 m-85 -123.41 163.85 20.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 16.5 m -150.72 128.08 11.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.38 162.77 19.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 0.0 110.401 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -129.79 132.7 46.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.023 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' B' ' 4' ' ' TYR . 2.6 mp -119.27 156.75 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.956 . . . . 0.0 110.371 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -134.31 34.07 3.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 15' ' ' PHE . . . -154.03 129.85 2.76 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.461 ' HD2' ' CZ ' ' B' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -55.76 14.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -1.144 . . . . 0.0 110.214 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 21.7 tt0 -44.31 -40.94 5.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 110.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HB3' HD13 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.02 -45.31 14.21 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.567 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 45.9 t80 -51.78 -47.65 64.1 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.393 -0.817 . . . . 0.0 109.659 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 9.5 mt-10 -44.79 -38.01 4.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.292 -0.88 . . . . 0.0 109.336 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.83 -46.32 75.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.808 . . . . 0.0 109.601 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' B' ' 21' ' ' ARG . 97.3 m-85 -67.51 -58.86 3.97 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.906 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.4 tpt180 -43.48 -61.53 1.35 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.823 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -45.77 -49.05 15.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 3.6 mpt_? -57.01 -41.38 78.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 109.636 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 6.9 t-20 -50.46 -51.38 47.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.738 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.12 -44.41 74.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.265 -0.897 . . . . 0.0 109.49 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -62.89 -37.11 85.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.833 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 4.6 tt -57.41 -48.2 79.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.914 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.38 -55.22 37.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.83 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.58 -24.66 64.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 109.832 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -77.34 -31.2 54.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.341 -0.849 . . . . 0.0 109.91 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.29 -48.56 33.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 110.124 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.43 -12.18 29.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -58.05 1.98 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.18 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.8 68.95 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.246 -0.909 . . . . 0.0 110.175 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.02 -121.01 2.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.27 -1.135 . . . . 0.0 110.231 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.256 0.55 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.21 166.5 15.04 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -128.69 -41.4 1.5 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.173 -1.192 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 24.8 p90 -140.54 -173.98 3.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.3 -0.875 . . . . 0.0 110.209 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.461 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 25.9 m-85 -123.53 164.12 19.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 110.164 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 m -151.21 128.33 11.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 109.971 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.53 163.01 19.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 110.437 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 5.1 mt-30 -129.98 132.25 46.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' TYR . 2.6 mp -118.9 156.81 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 6.3 ptp180 -134.37 34.23 3.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.301 -0.874 . . . . 0.0 110.185 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.17 129.93 2.77 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' B' ' 16' ' ' GLU . 0.2 OUTLIER -66.48 -56.38 11.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.265 -1.138 . . . . 0.0 110.205 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' B' ' 14' ' ' ARG . 21.6 tt0 -43.43 -42.11 4.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.43 ' HB3' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -81.89 -46.17 14.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 0.0 109.766 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' GLU . 44.2 t80 -51.1 -47.71 61.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.703 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 9.5 mt-10 -44.4 -38.04 3.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -67.04 -45.9 76.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.444 -0.785 . . . . 0.0 109.609 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.3 m-85 -68.1 -58.17 4.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 109.864 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.3 tpt180 -44.25 -61.44 1.5 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 109.717 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -45.92 -48.59 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.852 . . . . 0.0 109.62 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 3.6 mpt_? -57.55 -41.18 80.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.64 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 6.9 t-20 -50.36 -51.23 47.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.783 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.43 -43.63 75.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.584 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' B' ' 28' ' ' LYS . . . -63.84 -36.72 84.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.672 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' B' ' 22' ' ' ASN . 4.5 tt -57.56 -48.05 80.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.317 -0.865 . . . . 0.0 109.845 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -57.56 -55.43 34.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.0 109.77 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.33 -24.87 64.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.819 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -77.19 -31.15 55.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.355 -0.841 . . . . 0.0 109.841 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.52 -48.23 34.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.088 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.79 -12.38 35.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.156 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.35 -58.1 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.874 . . . . 0.0 110.111 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -111.78 69.07 0.68 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.118 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.13 -121.1 2.64 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.237 -1.155 . . . . 0.0 110.215 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 15.8 p30 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.286 0.565 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.95 -22.76 4.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -139.33 118.85 12.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.234 -1.157 . . . . 0.0 110.222 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 16.0 p90 -156.37 173.0 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.177 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.567 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 27.5 m-85 -120.89 169.49 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.112 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 0.8 OUTLIER -143.62 138.18 28.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.0 110.371 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.78 155.27 31.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.451 ' O ' HD11 ' A' ' 9' ' ' ILE . 6.3 mt-30 -136.28 130.94 33.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.277 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 HD11 ' O ' ' A' ' 8' ' ' GLN . 19.7 mm -119.67 145.6 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.167 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -108.04 -14.22 14.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.244 -0.91 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.15 150.65 17.49 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.28 -46.91 19.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -1.145 . . . . 0.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.03 -40.76 5.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.866 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.482 ' HA ' ' CD1' ' B' ' 25' ' ' LEU . 3.6 mtp180 -82.9 -44.46 15.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.205 -0.935 . . . . 0.0 109.359 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 89.9 t80 -57.15 -47.17 81.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.422 -0.799 . . . . 0.0 109.808 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' PHE . 4.4 mm-40 -44.99 -32.78 1.77 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.536 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 9.2 mm100 -74.28 -50.08 20.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 109.732 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 94.1 m-85 -62.21 -53.49 54.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -50.18 -66.17 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.888 . . . . 0.0 109.688 179.381 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.32 -40.44 17.07 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.925 . . . . 0.0 109.563 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.8 OUTLIER -68.36 -41.68 80.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 109.599 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 28.2 t-20 -46.92 -48.18 21.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.332 -0.855 . . . . 0.0 109.505 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -68.24 -41.74 80.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.0 109.698 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -56.88 7.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.322 -0.861 . . . . 0.0 109.714 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -54.42 -36.17 63.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 0.0 109.635 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 53.5 tt0 -55.56 -49.52 72.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.274 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.1 tt -74.78 -25.16 58.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.35 -0.844 . . . . 0.0 109.804 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 5.8 tptt -58.82 -47.04 86.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.035 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -79.04 -34.52 43.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.47 -12.42 60.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.259 -0.901 . . . . 0.0 110.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.04 -36.83 8.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 110.245 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.43 26.69 5.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.249 -0.907 . . . . 0.0 110.252 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASP . . . -122.83 -123.63 2.88 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.254 -1.145 . . . . 0.0 110.169 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 p30 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.239 0.542 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.1 -22.54 4.23 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -139.55 118.74 12.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -1.157 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 15.8 p90 -156.3 172.81 17.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 110.189 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.543 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 27.0 m-85 -120.75 169.56 10.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 0.0 110.078 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.75 137.31 28.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.388 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.76 155.62 29.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 109.933 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.456 ' O ' HD11 ' B' ' 9' ' ' ILE . 6.0 mt-30 -136.38 131.03 33.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.456 HD11 ' O ' ' B' ' 8' ' ' GLN . 19.4 mm -119.83 145.62 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.216 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -107.75 -15.44 14.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.208 -0.933 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.71 17.89 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' B' ' 13' ' ' GLU . 14.5 ttt180 -78.22 -47.33 18.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -1.125 . . . . 0.0 110.235 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . 36.6 tt0 -43.23 -42.83 4.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 110.049 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 3.6 mtp180 -80.79 -45.76 16.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.831 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 5' ' ' PHE . 89.8 t80 -56.09 -47.21 78.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -0.839 . . . . 0.0 109.865 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 15' ' ' PHE . 4.3 mm-40 -44.69 -33.0 1.68 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.628 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' B' ' 17' ' ' GLN . 9.1 mm100 -74.15 -50.97 17.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.829 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.4 m-85 -61.93 -52.5 63.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.703 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -65.48 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.85 -40.03 20.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.436 ' HG2' ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -68.69 -41.14 79.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.337 -0.852 . . . . 0.0 109.583 179.453 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 28.3 t-20 -47.22 -48.17 24.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.867 . . . . 0.0 109.559 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.35 -41.65 80.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.399 -0.813 . . . . 0.0 109.688 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.08 -56.68 7.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.69 -35.9 64.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.709 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -55.59 -48.68 74.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.396 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.1 tt -75.73 -25.09 56.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 0.0 109.696 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 5.6 tptt -58.74 -46.94 86.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.313 -0.867 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' B' ' 33' ' ' GLY . 0.1 OUTLIER -79.31 -34.26 42.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.58 60.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -101.86 -36.84 8.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.5 26.72 5.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' ASP . . . -122.76 -123.92 2.91 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.231 -1.158 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.22 0.533 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.0 -38.08 0.05 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -118.38 10.79 12.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -1.192 . . . . 0.0 110.301 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 140.77 26.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.929 . . . . 0.0 110.362 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 41.4 m-85 -128.07 121.9 30.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.906 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.461 ' OG1' ' OE1' ' B' ' 8' ' ' GLN . 19.8 m -118.67 143.92 46.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.127 -0.983 . . . . 0.0 110.386 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' O ' HG21 ' B' ' 6' ' ' THR . 5.8 mt -122.93 156.74 34.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.852 . . . . 0.0 110.209 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -122.39 141.22 51.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 110.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' B' ' 5' ' ' PHE . 3.3 mt -134.67 149.43 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 24.84 8.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.359 -0.838 . . . . 0.0 110.028 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -140.14 124.65 2.72 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.72 -48.34 64.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -1.137 . . . . 0.0 110.345 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -36.31 46.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.238 -0.914 . . . . 0.0 110.455 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.07 -38.09 22.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.261 -0.899 . . . . 0.0 109.589 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.523 ' CD1' ' HB3' ' B' ' 5' ' ' PHE . 65.6 t80 -52.64 -48.18 66.57 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.324 -0.86 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.1 mt-10 -44.4 -34.67 2.1 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.349 -0.845 . . . . 0.0 109.282 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -70.2 -51.65 29.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.806 . . . . 0.0 109.958 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.459 ' HB3' HD13 ' B' ' 7' ' ' LEU . 78.6 m-85 -59.14 -59.45 5.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 109.986 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.8 tpt180 -43.18 -52.27 5.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 0.0 109.84 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.27 -55.71 4.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.413 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.607 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -53.51 -42.32 67.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.349 179.229 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ARG . 2.0 t-20 -43.88 -54.26 5.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.334 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.04 -49.9 70.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.398 -0.814 . . . . 0.0 109.363 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' N ' ' OE1' ' A' ' 23' ' ' GLU . . . -61.94 -42.35 99.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.633 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -51.72 -42.71 62.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 0.0 109.619 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -60.26 -53.69 54.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 0.0 109.575 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -64.96 -27.45 68.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.852 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 6.3 tptt -66.4 -32.88 74.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.69 -29.64 32.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.28 0.69 24.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.6 OUTLIER -139.31 165.1 28.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.0 110.299 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB2' ' OE1' ' A' ' 31' ' ' GLN . . . 53.42 -89.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.188 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 100.36 -33.5 6.29 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.244 -1.151 . . . . 0.0 110.15 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.286 0.565 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.91 -38.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -118.06 10.61 13.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -1.177 . . . . 0.0 110.384 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 140.96 26.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.523 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 40.2 m-85 -128.33 121.16 28.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.974 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.447 HG21 ' O ' ' A' ' 7' ' ' LEU . 19.4 m -117.89 144.05 45.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.917 . . . . 0.0 110.366 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' A' ' 18' ' ' PHE . 5.6 mt -123.14 156.75 34.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.301 -0.874 . . . . 0.0 110.219 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . 0.461 ' OE1' ' OG1' ' A' ' 6' ' ' THR . 4.4 mt-30 -122.34 140.98 52.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 5' ' ' PHE . 3.3 mt -134.61 149.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 24.87 8.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.87 124.7 2.77 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.78 -48.76 62.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.236 -1.155 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.84 -38.2 47.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -39.24 26.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.995 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 63.8 t80 -51.35 -48.51 62.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.958 . . . . 0.0 109.634 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.1 mt-10 -43.93 -34.75 1.76 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.358 -0.839 . . . . 0.0 109.52 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.41 -51.0 32.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.915 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 79.1 m-85 -60.43 -57.98 10.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 0.0 109.905 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 tpt180 -44.39 -51.69 8.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.667 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -44.59 -55.35 5.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -0.89 . . . . 0.0 109.499 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' B' ' 22' ' ' ASN . 0.0 OUTLIER -53.71 -42.02 67.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.859 . . . . 0.0 109.364 179.287 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' B' ' 21' ' ' ARG . 1.9 t-20 -44.25 -54.13 5.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 109.333 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -55.33 -48.45 74.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 0.0 109.506 179.306 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.414 ' N ' ' OE1' ' B' ' 23' ' ' GLU . . . -63.4 -42.06 98.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.611 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.466 HD12 ' HB3' ' A' ' 14' ' ' ARG . 5.9 tt -51.84 -42.38 62.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.27 -0.894 . . . . 0.0 109.596 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -60.35 -53.28 59.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.318 -0.864 . . . . 0.0 109.696 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -65.53 -27.79 68.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 179.519 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' B' ' 28' ' ' LYS . 6.0 tptt -65.8 -32.87 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.391 -0.818 . . . . 0.0 110.072 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.2 -28.7 31.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.231 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.24 0.6 27.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 110.224 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' B' ' 33' ' ' GLY . 0.6 OUTLIER -139.27 165.0 28.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 110.243 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.439 ' HB2' ' OE1' ' B' ' 31' ' ' GLN . . . 53.53 -89.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.49 -33.5 6.31 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tttt . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.283 -1.128 . . . . 0.0 110.161 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.74 -138.06 2.39 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -143.28 0.18 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.15 . . . . 0.0 110.184 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 31.9 p90 -146.38 -171.37 3.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.421 ' CZ ' ' HD3' ' B' ' 12' ' ' ARG . 61.0 m-85 -133.04 170.22 15.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.217 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 7' ' ' LEU . 14.0 m -159.06 158.07 32.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.25 152.41 48.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.091 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.69 130.34 52.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 110.338 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CG2' ' HB2' ' A' ' 15' ' ' PHE . 2.7 mp -125.8 165.84 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.896 . . . . 0.0 109.992 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -125.38 -31.22 3.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.955 . . . . 0.0 110.504 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.35 125.74 8.64 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -72.36 -17.67 61.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.256 -1.143 . . . . 0.0 110.395 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -53.31 59.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 0.0 110.414 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' CB ' HD13 ' B' ' 25' ' ' LEU . 33.8 ptt180 -82.62 -34.11 27.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 6.2 t80 -56.9 -48.95 77.02 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.029 -1.045 . . . . 0.0 109.284 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.29 -40.53 25.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.379 -0.826 . . . . 0.0 109.202 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.1 mp0 -58.93 -42.75 90.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.419 -0.801 . . . . 0.0 109.293 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 21.7 m-30 -68.64 -54.26 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.39 -0.819 . . . . 0.0 109.97 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' PHE . 5.2 tpt180 -42.87 -65.08 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.09 -35.91 27.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.382 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.89 -48.27 66.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.0 109.643 179.438 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.55 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 33.8 t30 -44.58 -48.42 10.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 109.694 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.15 -49.24 78.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.954 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -58.3 7.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.862 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD13 ' CB ' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -60.01 -36.87 78.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 28.8 tt0 -50.01 -48.98 52.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.533 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 3.7 mt -68.79 -30.08 68.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 0.0 109.88 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.74 -33.81 76.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.033 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' OD2' ' HB3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -82.22 -46.57 13.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.21 33.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.896 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.69 -1.16 28.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.325 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' GLY . . . 48.97 50.84 17.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -44.21 -28.8 1.46 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.274 -1.133 . . . . 0.0 110.216 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.269 0.557 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.97 -138.02 2.38 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.54 -143.31 0.18 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -1.147 . . . . 0.0 110.209 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -146.38 -171.41 3.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.298 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.471 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 61.4 m-85 -132.95 170.45 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.893 . . . . 0.0 110.161 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.468 HG23 ' N ' ' B' ' 7' ' ' LEU . 13.4 m -159.29 158.07 31.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.199 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.468 ' N ' HG23 ' B' ' 6' ' ' THR . 0.3 OUTLIER -138.24 152.21 48.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.51 130.1 52.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.0 110.375 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.41 ' CG2' ' HB2' ' B' ' 15' ' ' PHE . 2.7 mp -125.68 164.98 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -124.02 -32.75 3.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.266 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.76 125.88 8.63 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.458 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -71.88 -18.42 62.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -1.146 . . . . 0.0 110.286 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -54.25 49.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 110.126 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.492 ' CB ' HD13 ' A' ' 25' ' ' LEU . 33.8 ptt180 -81.6 -34.61 30.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 110.081 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 6.7 t80 -56.51 -49.16 75.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.032 -1.042 . . . . 0.0 109.42 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.82 -40.65 21.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 109.305 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.1 mp0 -59.41 -41.76 90.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.403 -0.811 . . . . 0.0 109.46 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 22.2 m-30 -69.56 -53.01 21.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' HD2' HD13 ' A' ' 7' ' ' LEU . 5.2 tpt180 -44.0 -65.05 0.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.23 -0.919 . . . . 0.0 109.573 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -50.09 -35.71 26.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.909 . . . . 0.0 109.432 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.671 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.559 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 33.3 t30 -44.47 -48.58 10.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.34 -0.85 . . . . 0.0 109.752 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.21 -49.28 77.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.02 8.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.521 HD13 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -60.36 -36.69 78.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' B' ' 22' ' ' ASN . 28.6 tt0 -50.09 -48.41 53.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.177 -0.952 . . . . 0.0 109.602 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 3.7 mt -69.35 -29.87 67.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.837 . . . . 0.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.96 -33.03 74.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.373 -0.83 . . . . 0.0 109.962 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.21 -46.48 12.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.69 -17.26 33.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -103.64 -1.23 28.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.125 -0.984 . . . . 0.0 110.33 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' B' ' 33' ' ' GLY . . . 49.02 50.96 17.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 0.0 110.228 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' B' ' 32' ' ' ALA . . . -44.28 -29.0 1.55 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.232 -1.158 . . . . 0.0 110.247 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 3' ' ' GLU . . . -121.89 130.62 8.12 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 1.7 tt0 -178.9 -177.65 0.5 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -1.156 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 35.1 p90 -143.24 177.65 8.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 110.206 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' CZ ' ' HB2' ' B' ' 12' ' ' ARG . 69.8 m-85 -127.77 145.7 50.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.274 -0.891 . . . . 0.0 110.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -124.18 138.33 54.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 0.0 110.193 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.28 130.13 42.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -121.18 135.54 55.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.873 . . . . 0.0 110.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 10' ' ' ARG . 3.5 mt -131.14 171.43 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 3.8 ttt180 -124.34 84.14 2.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 0.0 110.162 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 135.4 2.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.452 ' HB2' ' CZ ' ' B' ' 5' ' ' PHE . 3.5 ttt180 -87.19 -12.42 46.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -1.148 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.57 -55.78 24.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.43 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' B' ' 25' ' ' LEU . 1.7 ptp180 -82.67 -33.74 27.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.59 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB3' ' HA ' ' A' ' 12' ' ' ARG . 52.6 t80 -61.03 -56.63 18.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.294 -0.879 . . . . 0.0 110.069 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -43.19 -27.82 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 109.578 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -73.42 -46.69 47.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.391 -0.818 . . . . 0.0 109.445 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' B' ' 22' ' ' ASN . 17.8 m-85 -70.92 -44.38 66.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.839 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 11.0 tpt180 -49.38 -60.55 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.19 -0.944 . . . . 0.0 109.939 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -46.09 72.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.868 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ASN . 3.9 mmt180 -63.86 -45.49 89.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 0.0 109.958 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' HA ' ' CE2' ' B' ' 18' ' ' PHE . 2.7 t-20 -43.3 -53.29 5.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.833 . . . . 0.0 109.59 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.31 -53.29 59.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.21 82.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 0.0 109.561 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -66.8 -40.09 87.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.838 . . . . 0.0 109.618 179.369 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.83 -49.96 14.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -38.79 83.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' CD ' ' HA3' ' A' ' 33' ' ' GLY . 14.4 tppt? -52.13 -32.05 33.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.047 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.4 -42.41 18.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.0 5.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -108.76 26.52 10.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.899 . . . . 0.0 110.334 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' LYS . . . 56.75 49.85 13.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.924 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.522 ' HA3' ' CD ' ' A' ' 28' ' ' LYS . . . -65.72 69.21 0.12 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.228 -1.16 . . . . 0.0 110.204 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.232 0.539 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' B' ' 3' ' ' GLU . . . -122.0 130.59 8.09 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 2' ' ' GLY . 1.8 tt0 -178.77 -177.26 0.5 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -1.141 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 35.2 p90 -143.49 177.85 8.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 12' ' ' ARG . 70.1 m-85 -128.04 145.43 50.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.0 110.194 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -123.95 138.27 54.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.21 130.03 42.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.276 -0.89 . . . . 0.0 110.24 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -121.0 135.53 55.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.089 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . 0.454 ' CG2' ' N ' ' B' ' 10' ' ' ARG . 3.5 mt -131.11 171.57 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.454 ' N ' ' CG2' ' B' ' 9' ' ' ILE . 3.8 ttt180 -124.54 84.1 2.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.891 . . . . 0.0 110.154 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.62 135.73 2.5 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.4 ttt180 -87.4 -12.88 44.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -1.128 . . . . 0.0 110.191 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -57.41 11.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.427 ' HB2' HD11 ' A' ' 25' ' ' LEU . 1.9 ptp180 -81.25 -33.28 32.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 109.981 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.434 ' HB3' ' HA ' ' B' ' 12' ' ' ARG . 53.3 t80 -61.68 -55.81 26.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.24 -0.912 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' B' ' 17' ' ' GLN . 0.0 OUTLIER -43.69 -26.29 0.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 109.761 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.493 ' N ' ' HG3' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -75.34 -45.59 38.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -0.884 . . . . 0.0 109.517 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.546 ' CE2' ' HA ' ' A' ' 22' ' ' ASN . 19.2 m-85 -72.5 -42.76 64.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.774 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 11.2 tpt180 -50.57 -59.64 3.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.755 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -45.59 74.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 0.0 109.747 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' B' ' 17' ' ' GLN . 3.8 mmt180 -64.32 -45.53 87.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.551 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 2.7 t-20 -42.94 -53.49 4.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.825 . . . . 0.0 109.678 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.36 -52.35 65.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.481 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.94 86.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.477 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -67.06 -39.61 86.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.372 -0.83 . . . . 0.0 109.596 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.35 -48.97 18.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.207 -0.933 . . . . 0.0 109.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -38.26 78.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.321 -0.862 . . . . 0.0 109.739 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.509 ' CD ' ' HA3' ' B' ' 33' ' ' GLY . 14.5 tppt? -52.59 -31.01 34.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.85 -42.06 16.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 110.157 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -20.65 6.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -108.89 26.46 10.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.19 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 34' ' ' LYS . . . 56.69 49.93 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.255 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.509 ' HA3' ' CD ' ' B' ' 28' ' ' LYS . . . -65.78 69.12 0.12 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 32' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.315 -1.109 . . . . 0.0 110.215 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 50.8 p90 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.27 0.557 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 4' ' ' TYR . 23.0 m-85 -145.36 170.17 16.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.067 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.4 t -152.0 137.9 18.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.156 -0.965 . . . . 0.0 110.478 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.64 144.41 48.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.438 ' C ' HD12 ' A' ' 9' ' ' ILE . 6.4 mt-30 -127.11 143.57 51.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.0 110.413 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.853 HG22 ' H ' ' A' ' 11' ' ' GLY . 4.1 mp -140.62 145.6 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 110.146 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.22 20.68 18.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 0.0 110.166 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.853 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -127.74 130.37 6.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -76.66 -34.2 58.28 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -1.175 . . . . 0.0 110.34 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.24 -35.19 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.893 . . . . 0.0 110.545 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.463 ' CD ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -83.17 -44.98 14.45 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.588 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 19' ' ' ARG . 82.9 t80 -48.5 -51.89 25.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.459 -0.776 . . . . 0.0 110.04 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.6 mm-40 -43.69 -37.35 2.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.644 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.645 ' OE1' HD21 ' B' ' 25' ' ' LEU . 2.7 mm-40 -68.32 -51.06 48.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -0.805 . . . . 0.0 110.134 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 95.6 m-85 -65.5 -58.15 6.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 9.1 tpt180 -42.92 -65.28 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.141 -0.974 . . . . 0.0 109.919 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.61 -43.56 46.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -64.47 -42.16 96.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.572 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 50.4 t30 -45.89 -45.3 15.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.349 -0.845 . . . . 0.0 109.451 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.58 -46.06 77.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.469 -0.77 . . . . 0.0 109.815 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.26 19.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 109.966 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD21 ' OE1' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -59.45 -39.62 84.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 0.0 109.79 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 64.4 tt0 -51.38 -39.66 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.482 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.26 -34.35 63.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.086 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 7.0 tptt -52.76 -51.95 58.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -76.33 -57.14 4.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.23 -26.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.262 -0.899 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' B' ' 5' ' ' PHE . 50.9 p90 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.296 0.57 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' B' ' 4' ' ' TYR . 23.2 m-85 -145.38 170.23 16.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.925 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 t -151.99 138.04 18.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.98 . . . . 0.0 110.433 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.81 144.3 48.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.285 -0.885 . . . . 0.0 109.957 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 6.3 mt-30 -126.96 143.47 51.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.154 -0.966 . . . . 0.0 110.461 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.838 HG22 ' H ' ' B' ' 11' ' ' GLY . 4.1 mp -140.62 145.21 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -107.81 20.66 18.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.838 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -127.47 130.06 6.66 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt-85 -76.56 -34.43 58.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -1.161 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.52 -36.07 77.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 110.197 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.471 ' CD ' ' HA3' ' B' ' 11' ' ' GLY . 0.0 OUTLIER -82.38 -45.61 14.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.928 . . . . 0.0 110.035 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CZ ' ' HD3' ' B' ' 19' ' ' ARG . 81.3 t80 -47.9 -52.43 19.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 15' ' ' PHE . 6.7 mm-40 -43.16 -37.39 2.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.757 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.516 ' OE1' HD21 ' A' ' 25' ' ' LEU . 2.8 mm-40 -68.62 -50.95 47.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.2 m-85 -66.17 -57.1 8.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.877 . . . . 0.0 110.239 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.521 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 9.2 tpt180 -43.75 -64.9 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.179 -0.95 . . . . 0.0 109.715 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.93 -43.48 49.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.459 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -64.12 -41.67 97.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 0.0 109.556 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 52.0 t30 -46.25 -44.4 16.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.314 -0.866 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.0 -44.85 75.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.3 17.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.833 . . . . 0.0 109.925 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.645 HD21 ' OE1' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -59.53 -39.54 84.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 64.5 tt0 -51.75 -37.75 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.3 mt -76.17 -33.79 59.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 109.938 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 6.7 tptt -52.99 -51.8 60.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.017 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' GLN . 0.2 OUTLIER -76.7 -56.84 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.897 . . . . 0.0 110.201 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.6 -27.22 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.299 -0.876 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' B' ' 29' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 10' ' ' ARG . 1.4 m-85 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.304 0.573 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 23.7 m-85 -119.48 154.65 33.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 4.8 m -148.07 155.49 41.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -140.34 149.18 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.879 . . . . 0.0 110.234 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.1 133.09 50.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.895 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.69 158.94 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.333 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -115.69 37.76 3.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.097 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.74 141.88 8.12 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' B' ' 5' ' ' PHE . 66.5 ttt180 -81.89 -30.97 31.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -1.149 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.69 -35.68 81.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 110.372 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HA ' HD12 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.25 -45.05 14.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.159 -0.963 . . . . 0.0 109.548 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' HD12 ' B' ' 7' ' ' LEU . 56.0 t80 -61.21 -49.4 77.3 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.362 -0.836 . . . . 0.0 110.034 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.8 mm-40 -43.28 -39.67 3.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 0.0 109.775 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -67.59 -45.8 74.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 14.1 m-30 -64.14 -51.0 65.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.279 -0.888 . . . . 0.0 110.143 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.1 ttt-85 -46.81 -63.54 1.0 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.72 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -49.03 -42.7 39.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.522 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.5 mtt180 -64.06 -44.77 91.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 0.0 109.693 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 21.8 t30 -43.97 -46.84 8.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.28 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -53.1 60.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 109.512 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.13 -54.35 48.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.315 -0.865 . . . . 0.0 109.602 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' B' ' 14' ' ' ARG . 3.2 mm? -50.38 -45.47 55.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.323 -0.861 . . . . 0.0 109.553 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.24 -46.93 36.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.352 -0.842 . . . . 0.0 109.545 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.8 tp -73.18 -36.6 66.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.878 . . . . 0.0 109.976 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 10.6 tptp -50.68 -54.78 20.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -32.43 68.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 110.23 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.93 0.07 16.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.167 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 110.222 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' ARG . 1.3 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.197 0.522 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 23.3 m-85 -119.84 154.38 34.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.267 -0.896 . . . . 0.0 110.157 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.2 m -147.94 155.41 41.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.21 -0.931 . . . . 0.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -140.29 149.08 42.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.235 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 30.8 mt-30 -126.96 133.16 50.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.79 158.83 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -115.61 37.7 3.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.65 141.81 8.08 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 66.5 ttt180 -81.84 -31.64 31.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.179 -1.189 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.82 -36.56 84.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.173 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -82.59 -45.38 14.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 109.889 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 7' ' ' LEU . 55.9 t80 -61.17 -49.04 78.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.985 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.8 mm-40 -43.45 -38.65 2.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.421 ' O ' ' HD2' ' B' ' 21' ' ' ARG . 1.2 mm100 -68.86 -44.88 72.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 109.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 14.5 m-30 -65.47 -49.86 67.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.939 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 12.6 ttt-85 -47.54 -62.91 1.21 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.542 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -49.77 -42.21 46.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.917 . . . . 0.0 109.556 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.589 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.5 mtt180 -64.23 -44.81 90.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.381 -0.824 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 23.1 t30 -43.64 -46.48 7.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 109.436 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -52.87 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 109.537 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -54.45 46.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 109.642 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.1 mm? -50.12 -45.55 52.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.66 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.48 -45.69 37.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.872 . . . . 0.0 109.672 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.7 tp -74.41 -36.68 63.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.791 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 10.4 tptp -50.51 -54.65 20.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.341 -0.849 . . . . 0.0 110.062 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -32.22 67.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.907 . . . . 0.0 110.177 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.11 17.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 33.3 p90 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.296 0.57 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.92 161.49 20.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.522 HG23 ' O ' ' B' ' 7' ' ' LEU . 3.4 m -140.35 162.72 34.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 110.18 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -139.15 153.03 47.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.312 -0.867 . . . . 0.0 110.1 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -127.99 124.34 36.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.726 HD11 HD23 ' A' ' 7' ' ' LEU . 2.7 mp -122.23 147.76 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 2.4 ptt180 -110.59 48.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 0.0 110.217 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.82 140.63 5.78 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' GLU . 3.9 ttp180 -79.25 -56.0 4.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -1.133 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -43.34 -38.21 2.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.181 -0.949 . . . . 0.0 110.276 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' HE ' HG23 ' A' ' 9' ' ' ILE . 14.0 ttp-105 -82.73 -44.79 15.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.227 -0.921 . . . . 0.0 109.191 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 15.8 t80 -60.06 -53.72 54.41 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.386 -0.821 . . . . 0.0 109.668 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.1 mm-40 -42.88 -39.7 2.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.814 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 10.7 mm-40 -61.88 -48.4 80.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.713 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.646 ' CZ ' HD12 ' B' ' 25' ' ' LEU . 18.5 m-85 -67.18 -50.89 59.42 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.206 -0.934 . . . . 0.0 109.95 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 ttt180 -43.89 -72.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 0.0 110.023 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ARG . 51.6 mt-10 -44.63 -51.36 9.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 8.3 tpt180 -55.71 -41.37 73.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.884 . . . . 0.0 109.509 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.608 ' ND2' HD21 ' B' ' 7' ' ' LEU . 26.4 t-20 -47.13 -49.2 22.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.0 109.473 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 26' ' ' GLU . 73.5 tt0 -59.44 -51.53 69.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 109.611 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.62 35.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.264 -0.897 . . . . 0.0 109.774 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.663 HD12 ' CZ ' ' B' ' 18' ' ' PHE . 2.1 mt -63.74 -29.84 71.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.867 . . . . 0.0 109.725 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 31.7 tt0 -52.72 -47.59 67.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.236 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -40.12 78.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.61 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -47.1 -52.38 15.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 179.713 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB2' ' NH1' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -67.41 -36.73 81.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 110.017 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.84 65.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 110.21 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 33.2 p90 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.27 0.557 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' ILE . 64.5 m-85 -118.5 161.77 19.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.906 . . . . 0.0 110.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 7' ' ' LEU . 3.2 m -140.83 162.76 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.722 HD23 HD11 ' B' ' 9' ' ' ILE . 0.6 OUTLIER -139.06 153.44 48.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 110.164 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.43 123.93 34.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 0.0 110.327 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.722 HD11 HD23 ' B' ' 7' ' ' LEU . 2.7 mp -122.02 147.6 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.127 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.402 ' HA ' ' HB2' ' A' ' 4' ' ' TYR . 2.4 ptt180 -110.4 49.11 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.229 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.79 140.58 5.76 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.0 ttp180 -79.37 -56.05 4.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -43.09 -40.28 3.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.516 ' HE ' HG23 ' B' ' 9' ' ' ILE . 13.8 ttp-105 -80.5 -44.97 18.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.0 109.626 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' B' ' 19' ' ' ARG . 15.1 t80 -60.56 -52.99 62.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.908 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.0 mm-40 -43.19 -39.19 2.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.373 -0.829 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 10.7 mm-40 -62.05 -48.35 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 0.0 109.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.663 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 20.2 m-85 -68.15 -49.4 61.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 109.856 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.493 ' HD2' ' CZ ' ' B' ' 15' ' ' PHE . 1.1 ttt180 -44.74 -72.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 109.701 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 19' ' ' ARG . 51.4 mt-10 -45.01 -51.24 10.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 8.1 tpt180 -55.71 -41.1 73.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.605 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.607 ' ND2' HD21 ' A' ' 7' ' ' LEU . 25.3 t-20 -47.08 -49.03 22.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.593 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 26' ' ' GLU . 73.2 tt0 -59.8 -50.88 72.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.375 -0.828 . . . . 0.0 109.626 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.96 47.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 109.782 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.646 HD12 ' CZ ' ' A' ' 18' ' ' PHE . 2.1 mt -64.34 -29.62 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.0 109.737 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' B' ' 23' ' ' GLU . 32.0 tt0 -53.05 -46.78 68.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.188 -0.945 . . . . 0.0 109.366 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -39.65 75.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.574 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -47.3 -52.47 16.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.0 109.812 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.436 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -67.47 -36.5 81.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 110.086 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.72 65.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.053 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 p90 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.76 164.29 22.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 65.7 m -152.51 150.42 29.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 3.0 mt-30 -122.62 134.25 54.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.0 110.298 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.828 HD13 ' HD1' ' A' ' 15' ' ' PHE . 2.9 mp -119.17 158.25 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.113 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -9.86 9.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.109 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.455 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -118.1 141.28 16.14 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 12.8 ttt180 -82.76 -32.95 27.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -56.46 -43.25 79.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 0.0 110.448 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.717 ' CB ' HD12 ' B' ' 25' ' ' LEU . 2.8 ptm180 -82.74 -37.76 24.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.599 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.828 ' HD1' HD13 ' A' ' 9' ' ' ILE . 65.8 t80 -56.6 -50.89 70.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.288 -0.882 . . . . 0.0 109.575 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.86 -38.89 4.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.0 109.617 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 2.8 mm-40 -63.46 -46.99 83.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.845 . . . . 0.0 109.706 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 15.0 m-30 -67.48 -51.5 50.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.6 tpt85 -42.48 -65.97 0.41 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.175 -0.953 . . . . 0.0 109.994 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.57 -36.28 44.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.523 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.1 OUTLIER -64.36 -51.04 65.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.376 -0.827 . . . . 0.0 109.63 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ARG . 6.0 t-20 -44.56 -49.65 10.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.282 -0.886 . . . . 0.0 109.483 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.11 -56.52 17.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.82 . . . . 0.0 109.778 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.01 79.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 109.903 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD12 ' CB ' ' B' ' 14' ' ' ARG . 2.7 mm? -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.823 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.96 -50.0 58.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 0.0 109.811 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.46 -32.38 69.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.94 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.3 tptt -59.7 -40.22 87.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.909 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -77.59 -47.61 18.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 110.072 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.15 -28.94 2.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.219 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.263 0.554 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -127.72 164.31 22.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.151 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 63.8 m -152.43 150.41 29.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 110.301 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -0.879 . . . . 0.0 110.049 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 3.0 mt-30 -122.58 134.34 54.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.176 -0.953 . . . . 0.0 110.361 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.814 HD13 ' HD1' ' B' ' 15' ' ' PHE . 2.8 mp -119.25 158.11 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.93 -9.6 10.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 0.0 110.164 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.459 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -118.26 141.42 16.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -82.86 -33.53 27.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.69 -44.98 77.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 110.139 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.79 ' CB ' HD12 ' A' ' 25' ' ' LEU . 2.7 ptm180 -81.0 -38.19 27.96 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.963 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.814 ' HD1' HD13 ' B' ' 9' ' ' ILE . 65.1 t80 -56.29 -50.81 70.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.151 -0.968 . . . . 0.0 109.694 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 15' ' ' PHE . 13.8 mm-40 -44.77 -38.62 4.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.262 -0.899 . . . . 0.0 109.78 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 2.8 mm-40 -63.81 -46.4 85.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 15.1 m-30 -68.8 -49.81 55.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 110.002 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.4 tpt85 -43.64 -65.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.814 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.25 -35.51 50.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.557 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -64.95 -50.76 65.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 0.0 109.645 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 21' ' ' ARG . 5.9 t-20 -44.77 -49.55 10.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.529 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.24 -56.37 19.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.388 -0.82 . . . . 0.0 109.748 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.19 78.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 109.793 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.717 HD12 ' CB ' ' A' ' 14' ' ' ARG . 2.7 mm? -61.97 -38.09 87.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -51.16 -49.52 60.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.322 -0.861 . . . . 0.0 109.875 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.01 -32.21 68.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 0.0 109.84 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.9 tptt -59.71 -40.11 86.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -77.77 -47.6 18.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.124 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.85 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 110.122 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.172 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 5.9 p90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.199 0.523 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' HB3' ' CD2' ' B' ' 15' ' ' PHE . 40.6 m-85 -118.85 178.88 4.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 110.213 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 98.6 m -157.49 155.7 30.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' B' ' 18' ' ' PHE . 0.9 OUTLIER -137.21 163.23 31.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 24.8 mt-30 -136.36 133.83 37.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 110.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 15' ' ' PHE . 3.2 mp -118.63 163.59 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -0.95 . . . . 0.0 110.106 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' N ' HG22 ' A' ' 9' ' ' ILE . 16.5 ttt-85 -128.44 -0.04 5.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.262 -0.899 . . . . 0.0 110.383 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.569 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -135.32 143.89 15.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -75.39 -39.42 59.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -1.145 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -53.5 -40.48 65.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' B' ' 25' ' ' LEU . 4.2 mtp180 -83.08 -47.28 11.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 109.286 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.631 ' HB2' HG21 ' A' ' 9' ' ' ILE . 50.6 t80 -47.86 -48.01 31.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 1.2 mm-40 -44.98 -39.72 5.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.347 -0.846 . . . . 0.0 109.587 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -66.28 -48.51 70.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.7 m-85 -63.02 -59.1 5.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.283 -0.886 . . . . 0.0 110.182 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 12.1 tpt85 -43.33 -69.17 0.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.12 -0.987 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' ARG . 7.3 tt0 -43.8 -41.45 5.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.609 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.605 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.1 mpt_? -67.29 -43.75 80.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.341 -0.85 . . . . 0.0 109.657 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.455 ' HB2' HD21 ' B' ' 7' ' ' LEU . 6.9 t-20 -44.71 -41.54 6.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.852 . . . . 0.0 109.465 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.55 -50.2 14.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.74 79.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.838 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.9 mm? -60.12 -41.11 91.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.839 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.44 -46.85 56.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.736 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.55 -35.98 63.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 109.939 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.8 tptt -47.87 -46.73 31.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 0.0 110.077 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.11 -30.0 31.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -75.68 -8.04 55.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -0.86 . . . . 0.0 110.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.553 ' HG3' HD23 ' A' ' 27' ' ' LEU . 24.6 mt-30 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.304 -0.872 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 6.3 p90 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.253 0.549 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.5 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 40.2 m-85 -118.37 179.37 4.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.256 -0.903 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 94.7 m -158.15 156.02 30.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.142 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 18' ' ' PHE . 0.9 OUTLIER -137.46 163.2 31.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.344 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 24.5 mt-30 -136.3 132.56 35.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.879 . . . . 0.0 110.171 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' B' ' 15' ' ' PHE . 3.2 mp -117.32 163.69 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.263 -0.898 . . . . 0.0 110.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.443 ' N ' HG22 ' B' ' 9' ' ' ILE . 16.6 ttt-85 -128.63 0.37 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 110.403 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.586 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -135.9 143.67 15.24 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -75.09 -40.09 60.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -1.102 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.53 -42.15 64.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.216 -0.928 . . . . 0.0 109.96 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 25' ' ' LEU . 4.1 mtp180 -81.43 -48.27 12.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 0.0 109.677 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.62 ' HB2' HG21 ' B' ' 9' ' ' ILE . 51.7 t80 -47.06 -47.72 22.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.08 -39.14 5.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.699 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -66.95 -48.66 67.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.95 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.5 m-85 -62.83 -58.68 6.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 110.049 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 12.1 tpt85 -44.05 -69.06 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 19' ' ' ARG . 7.3 tt0 -43.94 -41.33 5.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.669 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.587 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.1 mpt_? -67.09 -43.47 82.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.0 109.716 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 6.7 t-20 -44.89 -41.21 6.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.618 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -77.02 -50.63 12.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 0.0 109.761 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.87 78.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.86 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.9 mm? -60.07 -41.1 91.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.45 -46.09 56.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.937 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.531 HD23 ' HG3' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -75.34 -35.74 61.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.87 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.7 tptt -48.05 -46.2 33.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.294 -0.878 . . . . 0.0 109.994 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.83 -29.6 29.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' B' ' 27' ' ' LEU . . . -76.15 -8.09 56.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 110.238 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.531 ' HG3' HD23 ' B' ' 27' ' ' LEU . 24.7 mt-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.272 0.558 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ILE . 97.9 m-85 -122.7 176.72 5.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -153.91 163.84 39.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.287 -0.883 . . . . 0.0 110.138 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.4 ' C ' ' HG2' ' A' ' 8' ' ' GLN . 2.6 mt -150.89 167.18 28.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.288 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 7' ' ' LEU . 2.1 mt-30 -129.36 132.87 47.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 110.129 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.471 HG12 ' CE2' ' A' ' 18' ' ' PHE . 5.2 mt -119.57 157.83 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -136.86 89.64 2.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 110.222 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.93 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.75 -50.86 7.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -1.149 . . . . 0.0 110.233 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 12' ' ' ARG . 1.4 mt-10 -42.6 -43.81 3.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.89 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.927 ' CB ' HD12 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -82.58 -38.58 23.44 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.225 -0.922 . . . . 0.0 109.331 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -53.52 -48.13 69.31 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.334 -0.854 . . . . 0.0 109.461 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -45.66 -34.16 3.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.855 . . . . 0.0 109.2 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 54.2 mm-40 -69.35 -46.92 65.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.477 ' CE1' ' HG2' ' B' ' 21' ' ' ARG . 96.3 m-85 -69.58 -57.45 5.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.863 . . . . 0.0 109.951 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.4 tpt180 -42.83 -64.04 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.763 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -47.94 -44.02 29.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -61.05 -37.1 81.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 0.0 109.468 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.0 t-20 -54.92 -58.86 5.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.384 -0.822 . . . . 0.0 109.561 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.51 -40.2 36.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -56.7 -47.34 80.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.434 -0.791 . . . . 0.0 109.511 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.922 HD12 ' CB ' ' B' ' 14' ' ' ARG . 0.8 OUTLIER -51.06 -43.94 61.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.0 109.34 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.7 tt0 -54.62 -53.53 53.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.361 -0.837 . . . . 0.0 109.723 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.41 -34.95 70.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -0.848 . . . . 0.0 109.894 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 15.6 tppt? -58.79 -35.02 72.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 109.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.56 -52.52 11.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 0.0 110.041 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.74 -8.64 37.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.202 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 52.4 p90 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.355 0.598 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' ILE . 98.0 m-85 -122.67 176.55 5.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 0.0 110.204 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.0 m -153.76 163.78 39.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.402 ' C ' ' HG2' ' B' ' 8' ' ' GLN . 2.6 mt -150.82 167.06 28.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' B' ' 7' ' ' LEU . 2.1 mt-30 -129.27 132.62 47.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.281 -0.887 . . . . 0.0 110.11 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' B' ' 18' ' ' PHE . 5.2 mt -119.45 157.71 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.273 -0.892 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -136.76 89.89 2.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' B' ' 12' ' ' ARG . . . 138.91 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -43.79 -50.8 7.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -1.173 . . . . 0.0 110.22 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 12' ' ' ARG . 1.4 mt-10 -42.61 -45.36 4.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.922 ' CB ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -80.79 -38.85 27.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.73 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 67.2 t80 -53.37 -48.14 68.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.8 mm-40 -45.43 -33.63 2.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 0.0 109.419 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 54.1 mm-40 -69.96 -46.76 64.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.405 -0.809 . . . . 0.0 109.619 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.478 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 94.9 m-85 -70.03 -56.59 6.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.824 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.3 tpt180 -43.67 -63.89 0.76 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 109.63 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -48.14 -43.58 31.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.28 -0.888 . . . . 0.0 109.18 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -61.71 -36.82 82.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 109.45 179.317 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -54.67 -59.14 5.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.545 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -40.15 33.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.293 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 21' ' ' ARG . . . -56.89 -46.95 81.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.498 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.927 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -51.35 -43.31 61.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 179.316 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.509 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.7 tt0 -55.28 -53.18 59.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.387 -0.82 . . . . 0.0 109.618 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.77 -34.77 69.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.748 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' B' ' 28' ' ' LYS . 15.4 tppt? -58.95 -34.79 72.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.9 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.97 -52.65 10.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -0.833 . . . . 0.0 109.994 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.67 36.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 110.222 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 110.225 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.253 0.549 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -119.21 -174.9 2.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.4 m -157.42 153.34 27.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -142.65 155.82 44.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.911 . . . . 0.0 110.22 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -118.67 140.08 50.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 15' ' ' PHE . 15.2 mm -120.99 168.26 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.286 -0.884 . . . . 0.0 110.306 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -149.34 29.69 0.78 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 0.0 110.316 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.09 115.1 0.64 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 9.2 ttp180 -62.42 -30.12 70.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 110.212 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -58.06 -55.05 40.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.808 ' CB ' HD12 ' B' ' 25' ' ' LEU . 17.6 ptt180 -82.6 -34.22 27.72 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.2 -0.937 . . . . 0.0 109.514 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CE1' HD12 ' B' ' 7' ' ' LEU . 82.9 t80 -54.9 -55.49 30.01 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.315 -0.866 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.0 mm-40 -43.58 -35.18 1.62 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.815 . . . . 0.0 109.659 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 17.8 mt-30 -67.47 -42.97 82.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.906 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -74.92 -54.5 7.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.312 -0.867 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 58.9 ttt180 -44.85 -63.11 0.99 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.151 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -52.62 -46.47 67.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.4 mmt180 -65.68 -42.9 90.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.93 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 5.1 t-20 -44.53 -48.46 10.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.74 -51.67 63.87 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.419 -0.801 . . . . 0.0 109.358 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.55 -47.88 80.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.372 -0.83 . . . . 0.0 109.204 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.803 HD12 ' CB ' ' B' ' 14' ' ' ARG . 1.1 mm? -61.57 -38.44 87.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.378 -0.826 . . . . 0.0 109.292 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.26 -43.85 43.26 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.35 -0.843 . . . . 0.0 109.236 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' GLN . 2.0 tp -69.21 -36.61 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.383 -0.823 . . . . 0.0 109.872 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 3.6 tptp -56.25 -53.51 56.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.062 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' B' ' 13' ' ' GLU . 1.3 m-20 -72.4 -66.31 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 0.0 110.154 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.77 -31.82 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 0.0 110.184 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' LEU . 70.3 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 110.017 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.233 0.54 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -119.6 -174.81 2.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 55.7 m -157.4 153.5 27.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.1 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.641 HD12 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -142.99 154.83 44.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -117.64 140.64 49.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.441 HG21 ' HB2' ' B' ' 15' ' ' PHE . 15.2 mm -121.41 168.2 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 110.227 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -149.21 29.71 0.79 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 110.276 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.18 114.89 0.63 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 9.3 ttp180 -62.09 -30.91 71.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -1.124 . . . . 0.0 110.124 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.407 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 6.5 mp0 -57.14 -57.11 14.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.903 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.803 ' CB ' HD12 ' A' ' 25' ' ' LEU . 17.4 ptt180 -80.43 -34.61 35.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -0.931 . . . . 0.0 109.893 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.624 ' CE1' HD12 ' A' ' 7' ' ' LEU . 83.6 t80 -54.48 -55.81 25.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.822 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.23 -34.76 1.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.831 . . . . 0.0 109.885 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 17.9 mt-30 -68.09 -42.0 81.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.0 109.965 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.63 -52.76 9.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.0 110.0 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 58.1 ttt180 -46.09 -62.37 1.36 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 110.038 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -53.44 -45.94 69.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' ASN . 13.4 mmt180 -65.87 -43.11 89.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 5.2 t-20 -44.53 -48.33 10.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.331 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.88 -51.63 63.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.27 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.8 81.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.29 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.808 HD12 ' CB ' ' A' ' 14' ' ' ARG . 1.1 mm? -61.75 -38.1 86.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.401 -0.812 . . . . 0.0 109.366 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.67 -42.29 45.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.281 -0.887 . . . . 0.0 109.421 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' B' ' 31' ' ' GLN . 2.0 tp -70.71 -36.21 73.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.397 -0.814 . . . . 0.0 109.699 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 3.3 tptp -56.42 -53.08 61.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 0.0 110.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' B' ' 30' ' ' ALA . 1.3 m-20 -73.04 -66.34 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.221 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.81 -31.64 0.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' B' ' 27' ' ' LEU . 70.0 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.881 . . . . 0.0 110.119 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 51.1 p90 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.251 0.548 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' B' ' 12' ' ' ARG . 61.1 m-85 -120.85 165.58 14.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.946 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 7' ' ' LEU . 3.7 m -156.69 153.79 29.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.918 . . . . 0.0 110.163 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' B' ' 19' ' ' ARG . 1.3 mt -140.79 148.02 39.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 110.191 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.52 134.6 55.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.531 HG23 ' NH2' ' A' ' 14' ' ' ARG . 2.9 mp -120.47 153.48 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 110.186 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -107.57 -9.37 15.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.235 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -114.74 123.46 6.01 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HB2' ' CE1' ' B' ' 5' ' ' PHE . 42.3 ttt180 -62.27 -47.24 85.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -1.168 . . . . 0.0 110.204 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.04 -33.78 2.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.531 ' NH2' HG23 ' A' ' 9' ' ' ILE . 20.1 mtp180 -82.75 -40.27 20.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.416 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 73.6 t80 -61.86 -50.25 73.01 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.441 -0.787 . . . . 0.0 110.0 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.4 mm-40 -43.52 -39.83 3.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.71 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -66.84 -46.0 76.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.342 -0.849 . . . . 0.0 109.911 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 10.1 m-30 -68.32 -53.14 26.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.892 . . . . 0.0 110.233 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 29.5 tpt180 -43.24 -58.11 2.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.168 -0.957 . . . . 0.0 109.8 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.79 -42.15 64.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.596 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -63.55 -48.12 78.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 0.0 109.809 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.444 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 20.7 t-20 -43.0 -51.95 5.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.873 . . . . 0.0 109.754 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.51 -50.5 72.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.21 66.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.891 . . . . 0.0 109.685 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.5 mm? -58.36 -35.97 72.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.3 -46.11 65.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.268 -0.895 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 12.1 tp -74.86 -29.27 60.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.402 -0.812 . . . . 0.0 109.927 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -56.6 -61.72 2.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 109.967 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -27.56 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -79.06 -2.29 39.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.094 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.199 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 p90 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' B' ' 5' ' ' PHE . 61.9 m-85 -121.01 165.75 14.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m -156.83 153.83 28.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.428 HD11 ' HD2' ' A' ' 19' ' ' ARG . 1.3 mt -140.83 147.95 39.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 110.181 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.43 134.73 55.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.316 -0.865 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.536 HG23 ' NH2' ' B' ' 14' ' ' ARG . 2.9 mp -120.59 153.6 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 0.0 110.048 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -107.59 -10.06 15.76 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 110.203 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.488 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -114.24 123.52 6.09 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 42.6 ttt180 -62.08 -47.81 83.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.224 -1.162 . . . . 0.0 110.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 12' ' ' ARG . 2.1 tt0 -43.98 -35.91 2.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.895 . . . . 0.0 110.018 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.536 ' NH2' HG23 ' B' ' 9' ' ' ILE . 19.7 mtp180 -80.78 -40.48 25.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.895 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' B' ' 19' ' ' ARG . 73.8 t80 -61.84 -50.05 73.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.307 -0.871 . . . . 0.0 110.027 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.35 -39.83 3.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.822 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.06 -45.9 75.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.899 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 10.0 m-30 -68.7 -52.2 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.495 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 29.5 tpt180 -44.36 -57.02 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.142 -0.974 . . . . 0.0 109.76 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.99 -41.48 67.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.675 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -63.98 -47.98 78.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.404 -0.81 . . . . 0.0 109.857 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 21' ' ' ARG . 3.9 t30 -43.24 -51.73 6.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.349 -0.844 . . . . 0.0 109.776 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -57.52 -50.32 73.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.869 . . . . 0.0 109.613 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.23 -52.06 66.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.334 -0.854 . . . . 0.0 109.725 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' B' ' 25' ' ' LEU . 2.6 mm? -58.53 -35.47 72.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 109.639 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.63 -44.86 66.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.432 ' HA ' ' HB3' ' B' ' 30' ' ' ALA . 11.9 tp -76.37 -28.76 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.376 -0.828 . . . . 0.0 109.789 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.475 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -57.06 -60.81 3.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.402 -0.811 . . . . 0.0 109.911 179.715 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -72.61 -26.81 61.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -0.909 . . . . 0.0 110.021 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' B' ' 27' ' ' LEU . . . -79.74 -2.46 43.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 110.157 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' B' ' 28' ' ' LYS . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.227 0.537 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 13.7 m-85 -135.16 161.38 35.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.312 -0.867 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -134.48 129.01 34.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.941 . . . . 0.0 110.423 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' B' ' 7' ' ' LEU . 1.7 tt -118.94 143.28 47.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.275 -0.891 . . . . 0.0 109.975 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -128.55 137.94 51.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.338 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.701 HD13 ' HD1' ' A' ' 15' ' ' PHE . 2.4 mp -130.05 151.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.118 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 10' ' ' ARG . 12.2 ttt180 -120.58 -1.01 10.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.189 -0.945 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.488 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -112.85 126.74 7.63 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.41 75.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -1.17 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.05 -35.27 79.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.798 ' HB3' HD12 ' B' ' 25' ' ' LEU . 9.1 mpt_? -82.82 -40.12 20.79 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.316 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.701 ' HD1' HD13 ' A' ' 9' ' ' ILE . 40.1 t80 -51.03 -46.74 61.68 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.056 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.99 -37.45 4.04 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.372 -0.83 . . . . 0.0 109.005 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -65.49 -51.17 61.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.423 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' B' ' 21' ' ' ARG . 96.7 m-85 -69.43 -51.99 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 109.617 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' PHE . 2.5 tpt180 -43.1 -66.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ARG . 89.8 mt-10 -44.7 -49.57 10.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' B' ' 18' ' ' PHE . 4.5 tpt180 -56.66 -38.2 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.389 -0.819 . . . . 0.0 109.454 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.54 -50.89 61.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 109.357 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -47.28 82.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 109.39 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -50.3 70.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.399 -0.813 . . . . 0.0 109.503 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -46.27 -47.12 18.22 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.552 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.801 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -53.8 -52.44 60.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.808 . . . . 0.0 109.703 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -26.14 64.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.845 . . . . 0.0 109.829 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -74.85 -29.69 61.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 0.0 110.005 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.88 -44.77 30.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.984 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -17.43 4.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 109.945 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 110.146 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.316 0.579 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 13.6 m-85 -135.53 161.22 36.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.404 ' O ' HG23 ' B' ' 6' ' ' THR . 3.1 t -134.43 129.09 34.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.165 -0.959 . . . . 0.0 110.429 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . 1.7 tt -118.97 143.42 47.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.336 -0.853 . . . . 0.0 109.894 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -128.65 137.85 51.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.098 -1.001 . . . . 0.0 110.362 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.703 HD13 ' HD1' ' B' ' 15' ' ' PHE . 2.4 mp -129.86 151.79 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.902 . . . . 0.0 110.191 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' B' ' 10' ' ' ARG . 12.0 ttt180 -120.66 -0.55 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.35 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.48 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -113.31 126.53 7.47 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.66 -37.17 76.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -1.138 . . . . 0.0 110.155 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.16 -36.82 83.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.942 . . . . 0.0 110.042 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' B' ' 14' ' ' ARG . 9.2 mpt_? -81.06 -40.78 23.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 109.678 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.703 ' HD1' HD13 ' B' ' 9' ' ' ILE . 39.7 t80 -50.63 -46.86 58.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.0 109.31 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.2 mm-40 -44.53 -37.55 3.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.868 . . . . 0.0 109.282 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.46 -50.8 63.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.51 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 94.8 m-85 -70.31 -50.95 33.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.469 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' B' ' 18' ' ' PHE . 2.4 tpt180 -43.79 -66.13 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.506 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 19' ' ' ARG . 89.5 mt-10 -45.36 -49.08 13.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 4.7 tpt180 -56.92 -37.93 72.17 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.418 -0.801 . . . . 0.0 109.493 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.77 -51.09 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.357 -0.839 . . . . 0.0 109.323 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.42 -47.17 82.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.361 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.0 109.457 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.825 HD23 ' N ' ' B' ' 26' ' ' GLU . 0.9 OUTLIER -46.33 -47.12 18.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.401 -0.812 . . . . 0.0 109.471 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.825 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.2 tt0 -53.9 -52.39 60.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.81 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -26.14 64.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.333 -0.854 . . . . 0.0 109.832 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.89 61.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.376 -0.827 . . . . 0.0 109.996 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.507 ' OD1' ' NH1' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -76.68 -44.8 32.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.011 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -17.41 4.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.981 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 110.19 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.4 p90 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.233 0.54 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -118.88 171.96 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 109.964 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 7' ' ' LEU . 47.1 m -158.83 162.93 37.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 110.4 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' HG23 ' B' ' 6' ' ' THR . 2.0 mt -147.86 165.16 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.143 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -126.72 129.83 49.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.629 HG23 ' NE ' ' A' ' 14' ' ' ARG . 35.7 mt -126.41 148.1 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.278 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -118.42 98.57 6.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.895 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.41 135.79 3.64 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.1 -21.0 33.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -1.127 . . . . 0.0 110.26 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -61.47 -48.02 83.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.629 ' NE ' HG23 ' A' ' 9' ' ' ILE . 8.6 ptm180 -83.39 -40.7 19.04 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 109.682 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 88.8 t80 -51.04 -49.72 59.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 3.7 mm-40 -45.43 -36.2 4.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.332 -0.855 . . . . 0.0 109.7 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -68.46 -47.22 67.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.302 -0.874 . . . . 0.0 110.048 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 88.1 m-85 -64.18 -55.34 22.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HD2' HD21 ' B' ' 7' ' ' LEU . 9.2 tpt180 -43.53 -58.44 2.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.03 -1.043 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.36 -48.58 25.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.842 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.602 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 2.9 mmt180 -57.91 -49.86 75.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.301 -0.874 . . . . 0.0 109.927 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 1.7 t30 -40.64 -48.1 2.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.66 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.53 -56.61 16.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.0 109.823 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.83 76.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.0 109.733 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.2 mm? -59.49 -44.51 93.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -47.39 11.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.171 -0.956 . . . . 0.0 109.268 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.6 mt -66.73 -48.28 69.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.77 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.4 tppp? -43.03 -36.7 1.67 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.236 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.2 -42.51 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.386 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.06 7.89 12.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 110.462 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.214 0.53 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -118.36 172.11 7.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.873 . . . . 0.0 109.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 7' ' ' LEU . 46.8 m -158.99 162.83 36.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 0.0 110.319 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 2.0 mt -147.75 165.33 30.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.1 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -126.83 129.49 48.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.903 . . . . 0.0 110.073 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.626 HG23 ' NE ' ' B' ' 14' ' ' ARG . 35.2 mt -126.21 147.97 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.307 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.28 98.77 6.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.25 135.53 3.61 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -1.148 . . . . 0.0 110.232 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -60.9 -48.77 80.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.626 ' NE ' HG23 ' B' ' 9' ' ' ILE . 8.4 ptm180 -82.73 -40.66 20.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 110.056 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' B' ' 14' ' ' ARG . 89.2 t80 -51.14 -49.42 60.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.961 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' B' ' 12' ' ' ARG . 3.7 mm-40 -45.36 -36.09 3.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -68.54 -46.89 68.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 110.132 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 90.2 m-85 -65.36 -53.33 45.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' B' ' 18' ' ' PHE . 9.5 tpt180 -45.06 -56.7 4.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.56 -47.58 49.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 109.865 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.524 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.0 mmt180 -58.51 -48.65 80.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.937 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 1.7 t30 -41.99 -47.31 4.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.453 -0.779 . . . . 0.0 109.848 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.45 -55.64 22.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 0.0 109.735 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -49.52 77.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.51 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 3.2 mm? -59.65 -44.51 93.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.765 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.07 -46.8 11.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 109.415 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.6 mt -67.33 -48.32 67.88 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.365 -0.834 . . . . 0.0 109.685 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.4 tppp? -43.0 -36.48 1.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 110.119 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.53 -42.41 22.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.272 -0.893 . . . . 0.0 110.389 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.18 7.73 12.85 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.0 110.433 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.179 -0.95 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.255 0.55 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 71.1 m-85 -134.19 171.46 14.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.25 -0.906 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 t -149.44 135.2 18.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -130.12 149.86 51.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.863 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 9' ' ' ILE . 3.3 mt-30 -134.68 147.13 50.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.165 -0.959 . . . . 0.0 110.213 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 8' ' ' GLN . 41.3 mm -125.71 156.13 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.28 28.21 8.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.533 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -167.18 155.79 27.12 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.15 -26.39 23.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -1.13 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.67 -41.19 97.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.706 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.26 -41.46 18.3 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.247 -0.908 . . . . 0.0 109.444 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 51.4 t80 -48.92 -46.01 42.34 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.288 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.7 mm-40 -45.21 -34.4 2.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.372 -0.83 . . . . 0.0 109.142 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.2 mm-40 -72.82 -46.48 52.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.35 -0.844 . . . . 0.0 109.548 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.576 ' CE1' HD21 ' A' ' 7' ' ' LEU . 95.6 m-85 -65.48 -59.14 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.376 -0.828 . . . . 0.0 110.056 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 2.4 tpt180 -45.5 -48.86 14.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.927 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.1 -51.07 45.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.317 -0.864 . . . . 0.0 109.804 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 1.2 mmp_? -59.16 -44.05 92.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 109.821 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t-20 -43.81 -51.8 7.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.88 -46.99 87.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.433 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -59.2 -41.68 89.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.327 -0.858 . . . . 0.0 109.614 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 26' ' ' GLU . 3.3 tt -49.85 -57.56 7.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.722 ' N ' HD23 ' A' ' 25' ' ' LEU . 12.2 tt0 -47.45 -48.77 26.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -27.6 64.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.431 -0.793 . . . . 0.0 110.08 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' CG ' ' HD3' ' B' ' 14' ' ' ARG . 4.3 tptp -79.93 -42.17 24.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 0.0 110.051 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.461 ' OD2' ' HG ' ' A' ' 25' ' ' LEU . 4.0 m-20 -58.47 -46.0 87.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 109.891 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -31.31 5.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 110.002 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' LYS . 17.3 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 0.0 110.04 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.279 0.561 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 72.2 m-85 -134.12 171.42 14.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -149.72 135.0 18.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' B' ' 18' ' ' PHE . 0.7 OUTLIER -130.27 149.51 51.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.648 ' O ' HD13 ' B' ' 9' ' ' ILE . 3.2 mt-30 -134.25 147.5 50.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 110.23 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.648 HD13 ' O ' ' B' ' 8' ' ' GLN . 41.1 mm -125.86 156.32 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.902 . . . . 0.0 110.169 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.44 28.33 8.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.0 110.154 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.528 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -167.28 155.82 27.15 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.19 -27.08 23.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -1.152 . . . . 0.0 110.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.78 -42.46 97.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.078 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.613 ' HB3' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.04 -41.85 20.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.872 179.703 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.2 t80 -48.4 -46.11 36.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.481 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.7 mm-40 -44.85 -34.42 2.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.908 . . . . 0.0 109.354 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 4.3 mm-40 -73.0 -45.57 57.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.653 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 95.7 m-85 -66.73 -58.46 5.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.854 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.47 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 2.4 tpt180 -46.24 -47.96 17.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.776 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.14 -50.68 58.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.882 . . . . 0.0 109.86 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.2 mmp_? -59.59 -43.28 93.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.26 -0.9 . . . . 0.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 5.7 t-20 -44.53 -51.31 8.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.599 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.66 -45.69 93.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 109.46 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -60.39 -41.01 92.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.0 109.538 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.715 HD23 ' N ' ' B' ' 26' ' ' GLU . 3.2 tt -50.12 -57.32 7.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.318 -0.864 . . . . 0.0 109.469 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.715 ' N ' HD23 ' B' ' 25' ' ' LEU . 11.9 tt0 -47.7 -47.86 29.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.449 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -71.39 -27.59 63.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.8 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 3.0 tptp -79.66 -42.19 25.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 0.0 109.97 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.458 ' OD2' ' HG ' ' B' ' 25' ' ' LEU . 4.1 m-20 -58.99 -46.07 89.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.992 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.79 -31.52 5.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.929 . . . . 0.0 110.012 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 0.0 110.067 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.312 0.577 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -120.19 156.92 30.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 7' ' ' LEU . 16.0 m -141.19 170.72 15.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 110.381 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.566 ' N ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -153.12 153.37 32.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.249 -0.907 . . . . 0.0 110.051 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.31 132.8 52.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 0.0 110.159 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.664 HG23 ' CD1' ' B' ' 25' ' ' LEU . 3.3 mp -122.86 151.96 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.15 52.59 1.79 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.39 148.86 8.68 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -84.07 -27.9 27.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -1.163 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -73.35 -35.01 65.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 110.158 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.733 ' CB ' HD12 ' B' ' 25' ' ' LEU . 2.9 mtt85 -82.78 -38.4 23.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.29 -0.881 . . . . 0.0 109.215 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HD1' HD13 ' A' ' 9' ' ' ILE . 33.7 t80 -53.39 -42.35 66.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.268 -0.895 . . . . 0.0 109.307 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.1 -40.1 44.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.339 -0.851 . . . . 0.0 109.271 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -63.34 -44.73 94.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.35 179.299 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' ARG . 93.7 m-85 -70.64 -57.05 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 109.912 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.7 ttt85 -42.04 -68.06 0.22 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 109.974 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.25 -44.93 16.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 0.0 109.5 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -58.99 -39.68 82.52 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 109.64 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.2 t-20 -53.81 -49.95 67.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 109.62 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.47 -43.64 75.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.294 -0.879 . . . . 0.0 109.631 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -56.6 -40.38 75.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.822 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.842 ' CD1' HG23 ' B' ' 9' ' ' ILE . 1.5 tt -57.62 -54.45 46.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.671 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.782 ' N ' HD23 ' A' ' 25' ' ' LEU . 4.8 tm-20 -46.64 -56.97 5.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.0 109.688 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' C ' HD23 ' A' ' 27' ' ' LEU . 6.1 tt -68.6 -35.34 77.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.375 -0.828 . . . . 0.0 109.827 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.4 tptt -63.33 -38.3 90.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 110.013 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' ' NE ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -74.86 -51.57 13.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.973 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.48 -21.96 2.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.3 -0.875 . . . . 0.0 109.993 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.417 0.627 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' A' ' 9' ' ' ILE . 76.4 m-85 -120.21 157.4 29.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.908 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.584 HG22 ' N ' ' B' ' 7' ' ' LEU . 15.1 m -141.73 171.03 14.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.584 ' N ' HG22 ' B' ' 6' ' ' THR . 0.6 OUTLIER -153.27 153.61 33.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.131 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.52 132.44 52.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.184 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.842 HG23 ' CD1' ' A' ' 25' ' ' LEU . 3.3 mp -122.51 152.02 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.23 52.67 1.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.53 148.63 8.51 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -83.69 -28.6 28.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -1.143 . . . . 0.0 110.226 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.46 -36.49 68.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.173 -0.954 . . . . 0.0 109.929 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.696 ' CB ' HD12 ' A' ' 25' ' ' LEU . 2.8 mtt85 -81.37 -38.49 26.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.905 . . . . 0.0 109.627 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.433 ' HD1' HD13 ' B' ' 9' ' ' ILE . 33.5 t80 -53.39 -42.19 66.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.0 109.539 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.62 -40.85 40.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -62.67 -44.85 95.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 93.9 m-85 -70.86 -56.19 6.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 109.802 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 ttt85 -42.88 -67.77 0.25 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 0.0 109.773 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.62 -44.47 18.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.2 -0.937 . . . . 0.0 109.492 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -39.87 84.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -53.44 -50.03 66.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.859 . . . . 0.0 109.642 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.49 -43.64 75.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.285 -0.884 . . . . 0.0 109.717 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -56.79 -40.05 75.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.827 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.768 HD23 ' N ' ' B' ' 26' ' ' GLU . 1.5 tt -57.77 -54.53 45.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.331 -0.855 . . . . 0.0 109.729 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.768 ' N ' HD23 ' B' ' 25' ' ' LEU . 4.9 tm-20 -46.6 -56.98 5.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.711 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.572 HD23 ' C ' ' B' ' 27' ' ' LEU . 6.1 tt -68.66 -35.15 76.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.795 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 4.3 tptt -63.46 -38.36 90.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.94 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.46 ' OD2' ' NE ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -74.91 -51.53 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.343 -0.848 . . . . 0.0 110.022 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.69 -21.72 2.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 109.984 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.884 . . . . 0.0 110.05 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.453 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 10.8 p90 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.27 0.557 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.57 -179.86 4.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.2 t -152.13 143.34 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -129.95 140.76 50.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.178 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -128.16 134.46 49.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 11' ' ' GLY . 6.6 mt -130.07 142.41 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.175 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 45.0 1.25 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 110.144 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -155.9 133.48 3.73 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.5 -48.93 29.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.01 -36.64 60.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 110.269 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.86 ' HG3' HD21 ' B' ' 25' ' ' LEU . 20.0 mmt180 -83.07 -48.57 10.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.371 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD2' ' CG ' ' B' ' 5' ' ' PHE . 10.4 t80 -47.89 -46.54 31.68 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.66 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -45.88 -38.18 7.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.0 109.41 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 17.4 mt-30 -67.69 -47.31 69.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.373 -0.829 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.721 ' CE1' HD12 ' B' ' 25' ' ' LEU . 96.5 m-85 -72.02 -54.4 10.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.307 -0.871 . . . . 0.0 109.78 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 7.7 ttp180 -46.72 -65.81 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.223 -0.923 . . . . 0.0 109.802 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -48.21 -41.6 27.79 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.209 -0.932 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 3.9 tpt180 -60.62 -42.77 97.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.564 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.581 ' HB2' HD11 ' B' ' 7' ' ' LEU . 18.1 t-20 -51.13 -50.92 57.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.401 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -52.13 -52.54 50.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.0 109.168 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.86 38.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.291 -0.881 . . . . 0.0 109.006 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD11 HG23 ' B' ' 9' ' ' ILE . 1.7 tt -56.86 -57.74 11.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.466 -0.771 . . . . 0.0 109.304 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.39 -36.47 9.74 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.245 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -80.18 -44.51 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 109.934 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 6.4 tppt? -65.47 -35.62 81.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -50.23 43.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -14.79 63.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 3.1 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.209 -0.932 . . . . 0.0 110.142 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 10.8 p90 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.258 0.551 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.536 ' CG ' ' CD2' ' A' ' 15' ' ' PHE . 32.5 m-85 -120.58 -179.88 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.253 -0.905 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -152.14 143.21 23.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.211 -0.931 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 22' ' ' ASN . 10.8 tp -129.73 141.05 50.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.0 mt-30 -128.33 134.42 48.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -0.942 . . . . 0.0 110.224 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.568 HG23 HD11 ' A' ' 25' ' ' LEU . 6.6 mt -129.94 142.52 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.6 45.0 1.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -0.91 . . . . 0.0 110.199 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.413 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -155.87 133.41 3.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -73.45 -49.62 25.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -1.186 . . . . 0.0 110.196 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.91 -38.8 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.992 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -81.09 -49.28 11.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.363 -0.836 . . . . 0.0 109.827 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' B' ' 16' ' ' GLU . 10.4 t80 -47.34 -46.49 25.59 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 109.775 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.4 mt-10 -45.51 -38.22 6.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 17.7 mt-30 -67.7 -47.13 70.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.698 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 25' ' ' LEU . 95.3 m-85 -72.59 -53.67 11.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 7.7 ttp180 -47.26 -65.52 0.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.676 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -48.48 -41.61 30.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 4.0 tpt180 -60.5 -42.82 97.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.382 -0.824 . . . . 0.0 109.539 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 18.1 t-20 -51.24 -50.71 58.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 109.415 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.41 -52.02 56.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.31 -33.56 42.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.86 HD21 ' HG3' ' A' ' 14' ' ' ARG . 1.6 tt -56.76 -57.79 10.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.484 -0.76 . . . . 0.0 109.473 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.42 -35.4 8.4 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.418 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -81.26 -44.46 17.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 0.0 109.739 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 6.0 tppt? -65.55 -35.58 81.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.343 -0.848 . . . . 0.0 109.938 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -50.28 40.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.7 -14.85 63.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.272 -0.892 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 3.0 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CZ ' ' HB3' ' B' ' 10' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.258 0.552 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.18 117.47 17.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.035 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -123.83 136.78 54.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.848 HD22 ' ND2' ' B' ' 22' ' ' ASN . 4.6 mt -122.4 156.82 33.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.931 . . . . 0.0 110.164 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -119.95 131.58 55.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.245 -0.909 . . . . 0.0 110.282 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' B' ' 4' ' ' TYR . 4.3 mt -125.34 149.4 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.264 -0.898 . . . . 0.0 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -124.91 44.82 2.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.237 -0.914 . . . . 0.0 110.306 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.91 105.48 0.26 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -46.71 -51.86 15.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -1.166 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.04 -35.85 7.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 47.7 mtm180 -83.16 -53.51 5.73 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 0.0 109.159 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 16' ' ' GLU . 39.0 t80 -47.33 -46.62 25.58 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.731 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' PHE . 11.1 mt-10 -44.27 -40.4 5.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.39 -0.819 . . . . 0.0 109.507 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.9 mm-40 -66.65 -43.96 83.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.301 -0.874 . . . . 0.0 109.482 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 98.7 m-85 -69.75 -54.8 12.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -0.9 . . . . 0.0 109.886 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -58.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.0 109.668 179.605 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -41.6 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -0.879 . . . . 0.0 109.581 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.63 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -68.77 -46.14 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.78 ' ND2' HD22 ' B' ' 7' ' ' LEU . 5.6 t-20 -43.33 -42.02 4.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.607 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -80.54 -48.21 13.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.12 97.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 4.3 mm? -63.55 -49.21 74.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.824 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.7 tm-20 -44.93 -46.25 10.87 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.588 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' OE1' ' A' ' 31' ' ' GLN . 5.3 tt -69.85 -31.89 69.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.71 -37.57 87.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 109.902 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB2' ' HD3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -71.42 -47.43 55.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.137 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.7 -10.04 24.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.931 . . . . 0.0 110.184 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.44 ' OE1' HD23 ' A' ' 27' ' ' LEU . 3.1 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.864 . . . . 0.0 110.054 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.313 0.577 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -133.14 117.51 17.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -123.94 136.72 54.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.934 . . . . 0.0 110.263 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.78 HD22 ' ND2' ' A' ' 22' ' ' ASN . 4.7 mt -122.29 157.14 32.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -120.19 131.77 55.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 4.3 mt -125.49 149.48 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.252 -0.905 . . . . 0.0 110.222 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.01 44.78 2.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.243 -0.911 . . . . 0.0 110.272 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.82 105.45 0.26 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -52.98 12.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -1.13 . . . . 0.0 110.147 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -45.44 -38.54 6.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.942 . . . . 0.0 109.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.469 ' HA ' HD12 ' A' ' 25' ' ' LEU . 46.9 mtm180 -80.49 -55.07 5.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.573 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' B' ' 16' ' ' GLU . 38.2 t80 -46.28 -46.44 17.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.881 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 11.0 mt-10 -44.1 -40.04 4.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 109.574 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 5.0 mm-40 -67.05 -43.27 83.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.654 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 98.5 m-85 -70.26 -54.45 12.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.0 109.786 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.81 -57.87 3.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.639 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.92 -41.55 62.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.58 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.605 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -68.94 -45.83 69.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 109.663 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.848 ' ND2' HD22 ' A' ' 7' ' ' LEU . 5.6 t-20 -43.54 -41.83 4.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.61 -48.62 12.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.4 96.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 4.3 mm? -63.11 -49.57 73.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.826 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' B' ' 25' ' ' LEU . 1.7 tm-20 -44.63 -45.98 9.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.689 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.434 HD23 ' OE1' ' B' ' 31' ' ' GLN . 5.5 tt -70.37 -31.6 68.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.861 . . . . 0.0 109.777 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.99 -37.19 86.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.364 -0.835 . . . . 0.0 109.912 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.444 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -71.78 -47.38 53.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.121 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -10.33 27.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.896 . . . . 0.0 110.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.434 ' OE1' HD23 ' B' ' 27' ' ' LEU . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 110.037 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' B' ' 10' ' ' ARG . 38.9 p90 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.273 0.559 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.29 178.43 5.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.31 134.27 14.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.2 tp -118.89 134.64 55.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.886 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.14 115.91 25.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 0.0 110.211 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.505 HD11 ' CD2' ' A' ' 7' ' ' LEU . 3.1 mp -119.05 128.69 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -95.3 40.65 1.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.0 110.216 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -157.6 124.05 1.36 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -66.48 -41.74 88.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -1.155 . . . . 0.0 110.208 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HB3' ' OD1' ' B' ' 29' ' ' ASP . 0.9 OUTLIER -47.02 -44.63 20.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.189 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HA ' HD12 ' B' ' 25' ' ' LEU . 21.0 mtp180 -83.24 -40.56 19.45 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.278 -0.889 . . . . 0.0 109.76 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLU . 51.4 t80 -60.68 -51.78 67.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.402 -0.811 . . . . 0.0 110.166 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' A' ' 12' ' ' ARG . 4.7 mm-40 -42.99 -40.06 2.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 0.0 109.562 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 4.6 mm-40 -65.2 -45.61 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.485 -0.759 . . . . 0.0 109.764 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 17.1 m-30 -69.94 -55.28 10.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.111 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' PHE . 4.6 ttt180 -41.18 -67.54 0.24 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.221 -0.924 . . . . 0.0 110.206 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.9 -43.97 29.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -62.21 -44.7 95.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CG ' HD11 ' B' ' 7' ' ' LEU . 23.7 t30 -44.15 -49.57 8.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.276 -0.89 . . . . 0.0 109.571 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.63 -51.04 70.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.306 -0.871 . . . . 0.0 109.867 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.13 -53.86 50.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 109.756 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 3.1 mm? -52.0 -44.84 64.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.674 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -45.95 -54.18 8.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.898 . . . . 0.0 109.457 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.63 -38.52 77.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 109.905 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.2 tppt? -47.52 -55.98 8.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 109.903 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -47.57 83.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.88 . . . . 0.0 110.127 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.69 14.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.329 -0.857 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 0.0 110.318 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 10' ' ' ARG . 39.0 p90 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -126.39 178.19 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.17 133.49 14.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.511 ' CD2' HD11 ' B' ' 9' ' ' ILE . 21.1 tp -117.93 134.96 54.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.2 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -119.45 115.93 25.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 0.0 110.166 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.511 HD11 ' CD2' ' B' ' 7' ' ' LEU . 3.1 mp -119.16 128.79 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.897 . . . . 0.0 110.216 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -95.48 40.77 1.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.42 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -157.67 124.19 1.38 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.474 ' HG3' ' HG2' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -66.64 -41.62 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -1.138 . . . . 0.0 110.177 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -44.93 20.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.0 110.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 20.3 mtp180 -83.09 -40.31 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 110.027 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.4 t80 -60.97 -51.29 69.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 110.102 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.474 ' HG2' ' HG3' ' B' ' 12' ' ' ARG . 4.7 mm-40 -43.67 -37.63 2.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 109.735 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 4.6 mm-40 -68.08 -43.43 78.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.846 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 17.5 m-30 -72.4 -52.92 13.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.013 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' B' ' 18' ' ' PHE . 4.6 ttt180 -43.1 -67.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.0 109.907 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -47.59 -43.82 25.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.615 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -62.14 -44.29 96.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.354 -0.841 . . . . 0.0 109.745 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 23.5 t30 -44.56 -49.17 10.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.686 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -62.21 -50.8 70.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.321 -0.862 . . . . 0.0 109.645 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.14 47.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.781 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.1 mm? -51.81 -44.29 63.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -0.848 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.53 -53.16 11.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.196 -0.94 . . . . 0.0 109.679 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 27' ' ' LEU . 0.3 OUTLIER -70.7 -38.05 73.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.802 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.506 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.3 tppt? -47.81 -55.47 9.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 109.825 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.96 -47.28 83.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.311 -0.868 . . . . 0.0 110.158 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.97 -26.71 16.08 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.273 -179.89 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 24.7 p90 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.208 0.527 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' B' ' 12' ' ' ARG . 25.8 m-85 -123.41 163.85 20.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 16.5 m -150.72 128.08 11.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.38 162.77 19.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 0.0 110.401 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -129.79 132.7 46.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.023 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 11' ' ' GLY . 2.6 mp -119.27 156.75 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.956 . . . . 0.0 110.371 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -134.31 34.07 3.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.589 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -154.03 129.85 2.76 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HD2' ' CZ ' ' B' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -55.76 14.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -1.144 . . . . 0.0 110.214 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 21.7 tt0 -44.31 -40.94 5.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 110.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.771 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.02 -45.31 14.21 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.567 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 45.9 t80 -51.78 -47.65 64.1 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.393 -0.817 . . . . 0.0 109.659 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 9.5 mt-10 -44.79 -38.01 4.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.292 -0.88 . . . . 0.0 109.336 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.83 -46.32 75.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.808 . . . . 0.0 109.601 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.3 m-85 -67.51 -58.86 3.97 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.906 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.4 tpt180 -43.48 -61.53 1.35 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.823 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -45.77 -49.05 15.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 3.6 mpt_? -57.01 -41.38 78.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 109.636 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 6.9 t-20 -50.46 -51.38 47.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.738 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.12 -44.41 74.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.265 -0.897 . . . . 0.0 109.49 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -62.89 -37.11 85.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.833 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' B' ' 14' ' ' ARG . 4.6 tt -57.41 -48.2 79.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.914 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.641 ' N ' HD23 ' A' ' 25' ' ' LEU . 10.4 mt-10 -57.38 -55.22 37.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.83 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.58 -24.66 64.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 109.832 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -77.34 -31.2 54.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.341 -0.849 . . . . 0.0 109.91 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.29 -48.56 33.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 110.124 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.43 -12.18 29.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.18 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 24.8 p90 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.269 0.557 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 25.9 m-85 -123.53 164.12 19.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 110.164 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 m -151.21 128.33 11.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 109.971 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.53 163.01 19.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 110.437 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 5.1 mt-30 -129.98 132.25 46.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.583 HG22 ' H ' ' B' ' 11' ' ' GLY . 2.6 mp -118.9 156.81 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -134.37 34.23 3.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.301 -0.874 . . . . 0.0 110.185 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.583 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -154.17 129.93 2.77 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -56.38 11.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.265 -1.138 . . . . 0.0 110.205 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' B' ' 14' ' ' ARG . 21.6 tt0 -43.43 -42.11 4.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.733 ' HB3' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -81.89 -46.17 14.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 0.0 109.766 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' GLU . 44.2 t80 -51.1 -47.71 61.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.703 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 9.5 mt-10 -44.4 -38.04 3.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' B' ' 21' ' ' ARG . 2.2 tm0? -67.04 -45.9 76.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.444 -0.785 . . . . 0.0 109.609 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.3 m-85 -68.1 -58.17 4.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 109.864 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.3 tpt180 -44.25 -61.44 1.5 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 109.717 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -45.92 -48.59 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.852 . . . . 0.0 109.62 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.591 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.6 mpt_? -57.55 -41.18 80.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.64 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 6.9 t-20 -50.36 -51.23 47.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.783 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.43 -43.63 75.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.584 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' B' ' 28' ' ' LYS . . . -63.84 -36.72 84.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.672 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' A' ' 14' ' ' ARG . 4.5 tt -57.56 -48.05 80.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.317 -0.865 . . . . 0.0 109.845 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.641 ' N ' HD23 ' B' ' 25' ' ' LEU . 10.4 mt-10 -57.56 -55.43 34.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.0 109.77 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.33 -24.87 64.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.819 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -77.19 -31.15 55.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.355 -0.841 . . . . 0.0 109.841 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.52 -48.23 34.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.088 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.79 -12.38 35.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.156 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.874 . . . . 0.0 110.111 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 16.0 p90 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.286 0.565 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 27.5 m-85 -120.89 169.49 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.112 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 0.8 OUTLIER -143.62 138.18 28.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.0 110.371 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -118.78 155.27 31.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.558 ' O ' HD13 ' A' ' 9' ' ' ILE . 6.3 mt-30 -136.28 130.94 33.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.277 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.558 HD13 ' O ' ' A' ' 8' ' ' GLN . 19.7 mm -119.67 145.6 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.167 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -108.04 -14.22 14.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.244 -0.91 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.15 150.65 17.49 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.28 -46.91 19.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -1.145 . . . . 0.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.03 -40.76 5.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.866 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' CB ' HD12 ' B' ' 25' ' ' LEU . 3.6 mtp180 -82.9 -44.46 15.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.205 -0.935 . . . . 0.0 109.359 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 89.9 t80 -57.15 -47.17 81.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.422 -0.799 . . . . 0.0 109.808 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' PHE . 4.4 mm-40 -44.99 -32.78 1.77 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.536 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 69.6 mm-40 -74.28 -50.08 20.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 109.732 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 94.1 m-85 -62.21 -53.49 54.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -50.18 -66.17 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.888 . . . . 0.0 109.688 179.381 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.32 -40.44 17.07 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.925 . . . . 0.0 109.563 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.8 OUTLIER -68.36 -41.68 80.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 109.599 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.45 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 28.2 t-20 -46.92 -48.18 21.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.332 -0.855 . . . . 0.0 109.505 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -68.24 -41.74 80.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.0 109.698 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -56.88 7.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.322 -0.861 . . . . 0.0 109.714 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -54.42 -36.17 63.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 0.0 109.635 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 53.5 tt0 -55.56 -49.52 72.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.274 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.1 tt -74.78 -25.16 58.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.35 -0.844 . . . . 0.0 109.804 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 5.8 tptt -58.82 -47.04 86.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.035 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.04 -34.52 43.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.47 -12.42 60.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.259 -0.901 . . . . 0.0 110.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 15.8 p90 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.261 0.553 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 27.0 m-85 -120.75 169.56 10.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 0.0 110.078 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.75 137.31 28.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.388 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.468 HD23 HD11 ' B' ' 9' ' ' ILE . 0.3 OUTLIER -117.76 155.62 29.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 109.933 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.559 ' O ' HD13 ' B' ' 9' ' ' ILE . 6.0 mt-30 -136.38 131.03 33.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.559 HD13 ' O ' ' B' ' 8' ' ' GLN . 19.4 mm -119.83 145.62 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.216 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -107.75 -15.44 14.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.208 -0.933 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.71 17.89 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' B' ' 13' ' ' GLU . 14.5 ttt180 -78.22 -47.33 18.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -1.125 . . . . 0.0 110.235 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . 36.6 tt0 -43.23 -42.83 4.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 110.049 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 3.6 mtp180 -80.79 -45.76 16.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.831 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 5' ' ' PHE . 89.8 t80 -56.09 -47.21 78.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -0.839 . . . . 0.0 109.865 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 15' ' ' PHE . 4.3 mm-40 -44.69 -33.0 1.68 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.628 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 69.5 mm-40 -74.15 -50.97 17.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.829 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.4 m-85 -61.93 -52.5 63.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.703 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -51.16 -65.48 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.85 -40.03 20.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.451 ' HG2' ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -68.69 -41.14 79.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.337 -0.852 . . . . 0.0 109.583 179.453 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 28.3 t-20 -47.22 -48.17 24.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.867 . . . . 0.0 109.559 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.35 -41.65 80.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.399 -0.813 . . . . 0.0 109.688 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.08 -56.68 7.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.69 -35.9 64.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.709 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 53.5 tt0 -55.59 -48.68 74.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.396 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.1 tt -75.73 -25.09 56.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 0.0 109.696 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 5.6 tptt -58.74 -46.94 86.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.313 -0.867 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.31 -34.26 42.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.58 60.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.356 0.598 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 41.4 m-85 -128.07 121.9 30.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.906 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.422 ' OG1' ' OE1' ' B' ' 8' ' ' GLN . 19.8 m -118.67 143.92 46.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.127 -0.983 . . . . 0.0 110.386 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 6' ' ' THR . 5.8 mt -122.93 156.74 34.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.852 . . . . 0.0 110.209 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -122.39 141.22 51.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 110.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.855 HG23 HD11 ' B' ' 25' ' ' LEU . 3.3 mt -134.67 149.43 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 24.84 8.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.359 -0.838 . . . . 0.0 110.028 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.689 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -140.14 124.65 2.72 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.72 -48.34 64.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -1.137 . . . . 0.0 110.345 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -36.31 46.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.238 -0.914 . . . . 0.0 110.455 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.07 -38.09 22.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.261 -0.899 . . . . 0.0 109.589 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' B' ' 5' ' ' PHE . 65.6 t80 -52.64 -48.18 66.57 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.324 -0.86 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.1 mt-10 -44.4 -34.67 2.1 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.349 -0.845 . . . . 0.0 109.282 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -70.2 -51.65 29.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.806 . . . . 0.0 109.958 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' B' ' 21' ' ' ARG . 78.6 m-85 -59.14 -59.45 5.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 109.986 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.8 tpt180 -43.18 -52.27 5.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 0.0 109.84 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.27 -55.71 4.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.413 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.636 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -53.51 -42.32 67.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.349 179.229 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ARG . 8.5 t30 -43.88 -54.26 5.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.334 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.04 -49.9 70.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.398 -0.814 . . . . 0.0 109.363 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' N ' ' OE1' ' A' ' 23' ' ' GLU . . . -61.94 -42.35 99.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.633 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.892 HD11 HG23 ' B' ' 9' ' ' ILE . 6.0 tt -51.72 -42.71 62.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 0.0 109.619 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' N ' HD23 ' A' ' 25' ' ' LEU . 37.0 tp10 -60.26 -53.69 54.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 0.0 109.575 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -64.96 -27.45 68.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.852 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 6.3 tptt -66.4 -32.88 74.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.69 -29.64 32.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.28 0.69 24.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.309 0.576 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.547 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 40.2 m-85 -128.33 121.16 28.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.974 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 7' ' ' LEU . 19.4 m -117.89 144.05 45.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.917 . . . . 0.0 110.366 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 18' ' ' PHE . 5.6 mt -123.14 156.75 34.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.301 -0.874 . . . . 0.0 110.219 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.422 ' OE1' ' OG1' ' A' ' 6' ' ' THR . 4.4 mt-30 -122.34 140.98 52.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 25' ' ' LEU . 3.3 mt -134.61 149.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 24.87 8.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLY . . . . . 0.683 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -139.87 124.7 2.77 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.78 -48.76 62.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.236 -1.155 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.84 -38.2 47.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -39.24 26.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.995 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 63.8 t80 -51.35 -48.51 62.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.958 . . . . 0.0 109.634 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.1 mt-10 -43.93 -34.75 1.76 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.358 -0.839 . . . . 0.0 109.52 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.41 -51.0 32.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.915 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 79.1 m-85 -60.43 -57.98 10.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 0.0 109.905 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 tpt180 -44.39 -51.69 8.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.667 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -44.59 -55.35 5.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -0.89 . . . . 0.0 109.499 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -53.71 -42.02 67.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.859 . . . . 0.0 109.364 179.287 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' B' ' 21' ' ' ARG . 1.9 t-20 -44.25 -54.13 5.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 109.333 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -55.33 -48.45 74.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 0.0 109.506 179.306 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.414 ' N ' ' OE1' ' B' ' 23' ' ' GLU . . . -63.4 -42.06 98.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.611 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.855 HD11 HG23 ' A' ' 9' ' ' ILE . 5.9 tt -51.84 -42.38 62.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.27 -0.894 . . . . 0.0 109.596 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.454 ' N ' HD23 ' B' ' 25' ' ' LEU . 37.3 tp10 -60.35 -53.28 59.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.318 -0.864 . . . . 0.0 109.696 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -65.53 -27.79 68.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 179.519 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HD2' ' B' ' 28' ' ' LYS . 6.0 tptt -65.8 -32.87 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.391 -0.818 . . . . 0.0 110.072 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.2 -28.7 31.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.231 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.24 0.6 27.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 110.224 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 31.9 p90 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.232 0.539 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.453 ' CZ ' ' HD3' ' B' ' 12' ' ' ARG . 61.0 m-85 -133.04 170.22 15.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.217 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.485 HG23 ' O ' ' B' ' 7' ' ' LEU . 14.0 m -159.06 158.07 32.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.494 HD11 ' HD2' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -138.25 152.41 48.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.091 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.69 130.34 52.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 110.338 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 15' ' ' PHE . 2.7 mp -125.8 165.84 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.896 . . . . 0.0 109.992 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.7 ttt180 -125.38 -31.22 3.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.955 . . . . 0.0 110.504 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.35 125.74 8.64 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -72.36 -17.67 61.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.256 -1.143 . . . . 0.0 110.395 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -53.31 59.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 0.0 110.414 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.879 ' CB ' HD12 ' B' ' 25' ' ' LEU . 33.8 ptt180 -82.62 -34.11 27.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.71 ' HB2' HG21 ' A' ' 9' ' ' ILE . 6.2 t80 -56.9 -48.95 77.02 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.029 -1.045 . . . . 0.0 109.284 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.29 -40.53 25.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.379 -0.826 . . . . 0.0 109.202 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.1 mp0 -58.93 -42.75 90.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.419 -0.801 . . . . 0.0 109.293 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.54 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 21.7 m-30 -68.64 -54.26 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.39 -0.819 . . . . 0.0 109.97 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' B' ' 7' ' ' LEU . 5.2 tpt180 -42.87 -65.08 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.09 -35.91 27.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.382 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.89 -48.27 66.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.0 109.643 179.438 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 33.8 t30 -44.58 -48.42 10.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 109.694 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.15 -49.24 78.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.954 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -58.3 7.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.862 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.873 HD12 ' CB ' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -60.01 -36.87 78.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 28.8 tt0 -50.01 -48.98 52.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.533 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 3.7 mt -68.79 -30.08 68.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 0.0 109.88 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.74 -33.81 76.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.033 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' OD2' ' HB3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -82.22 -46.57 13.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.21 33.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.896 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.234 0.54 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 61.4 m-85 -132.95 170.45 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.893 . . . . 0.0 110.161 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 7' ' ' LEU . 13.4 m -159.29 158.07 31.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.199 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.24 152.21 48.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.51 130.1 52.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.0 110.375 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.713 HG21 ' HB2' ' B' ' 15' ' ' PHE . 2.7 mp -125.68 164.98 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.459 ' N ' HG22 ' B' ' 9' ' ' ILE . 1.7 ttt180 -124.02 -32.75 3.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.76 125.88 8.63 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -71.88 -18.42 62.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -1.146 . . . . 0.0 110.286 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -54.25 49.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 110.126 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.873 ' CB ' HD12 ' A' ' 25' ' ' LEU . 33.8 ptt180 -81.6 -34.61 30.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 110.081 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.713 ' HB2' HG21 ' B' ' 9' ' ' ILE . 6.7 t80 -56.51 -49.16 75.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.032 -1.042 . . . . 0.0 109.42 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.82 -40.65 21.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 109.305 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.1 mp0 -59.41 -41.76 90.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.403 -0.811 . . . . 0.0 109.46 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 22.2 m-30 -69.56 -53.01 21.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.494 ' HD2' HD11 ' A' ' 7' ' ' LEU . 5.2 tpt180 -44.0 -65.05 0.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.23 -0.919 . . . . 0.0 109.573 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -50.09 -35.71 26.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.909 . . . . 0.0 109.432 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.671 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 33.3 t30 -44.47 -48.58 10.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.34 -0.85 . . . . 0.0 109.752 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.21 -49.28 77.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.02 8.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.879 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -60.36 -36.69 78.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' B' ' 22' ' ' ASN . 28.6 tt0 -50.09 -48.41 53.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.177 -0.952 . . . . 0.0 109.602 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 3.7 mt -69.35 -29.87 67.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.837 . . . . 0.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.96 -33.03 74.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.373 -0.83 . . . . 0.0 109.962 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.21 -46.48 12.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.69 -17.26 33.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.125 -0.984 . . . . 0.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 35.1 p90 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.244 0.545 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' B' ' 12' ' ' ARG . 69.8 m-85 -127.77 145.7 50.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.274 -0.891 . . . . 0.0 110.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 1.8 t -124.18 138.33 54.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 0.0 110.193 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' B' ' 19' ' ' ARG . 0.6 OUTLIER -131.28 130.13 42.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -121.18 135.54 55.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.873 . . . . 0.0 110.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 10' ' ' ARG . 3.5 mt -131.14 171.43 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' HG22 ' A' ' 9' ' ' ILE . 3.8 ttt180 -124.34 84.14 2.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 0.0 110.162 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 135.4 2.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 3.5 ttt180 -87.19 -12.42 46.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -1.148 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.57 -55.78 24.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.43 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HB2' HD12 ' B' ' 25' ' ' LEU . 1.7 ptp180 -82.67 -33.74 27.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.59 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 12' ' ' ARG . 52.6 t80 -61.03 -56.63 18.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.294 -0.879 . . . . 0.0 110.069 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -43.19 -27.82 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 109.578 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -73.42 -46.69 47.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.391 -0.818 . . . . 0.0 109.445 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' B' ' 22' ' ' ASN . 17.8 m-85 -70.92 -44.38 66.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.839 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 11.0 tpt180 -49.38 -60.55 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.19 -0.944 . . . . 0.0 109.939 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -46.09 72.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.868 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' GLN . 3.9 mmt180 -63.86 -45.49 89.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 0.0 109.958 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.521 ' HA ' ' CE2' ' B' ' 18' ' ' PHE . 18.9 t30 -43.3 -53.29 5.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.833 . . . . 0.0 109.59 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.31 -53.29 59.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.21 82.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 0.0 109.561 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' B' ' 14' ' ' ARG . 0.5 OUTLIER -66.8 -40.09 87.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.838 . . . . 0.0 109.618 179.369 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.83 -49.96 14.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -38.79 83.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 14.4 tppt? -52.13 -32.05 33.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.047 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.4 -42.41 18.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.0 5.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.899 . . . . 0.0 110.334 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 35.2 p90 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.235 0.541 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 12' ' ' ARG . 70.1 m-85 -128.04 145.43 50.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.0 110.194 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -123.95 138.27 54.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.21 130.03 42.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.276 -0.89 . . . . 0.0 110.24 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 6.1 mt-30 -121.0 135.53 55.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.089 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.596 HG22 ' N ' ' B' ' 10' ' ' ARG . 3.5 mt -131.11 171.57 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.596 ' N ' HG22 ' B' ' 9' ' ' ILE . 3.8 ttt180 -124.54 84.1 2.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.891 . . . . 0.0 110.154 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.62 135.73 2.5 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.4 ttt180 -87.4 -12.88 44.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -1.128 . . . . 0.0 110.191 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -57.41 11.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.655 ' HB2' HD12 ' A' ' 25' ' ' LEU . 1.9 ptp180 -81.25 -33.28 32.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 109.981 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 12' ' ' ARG . 53.3 t80 -61.68 -55.81 26.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.24 -0.912 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' B' ' 17' ' ' GLN . 0.0 OUTLIER -43.69 -26.29 0.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 109.761 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -75.34 -45.59 38.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -0.884 . . . . 0.0 109.517 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 22' ' ' ASN . 19.2 m-85 -72.5 -42.76 64.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.774 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 11.2 tpt180 -50.57 -59.64 3.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.755 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -45.59 74.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 0.0 109.747 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' B' ' 17' ' ' GLN . 3.8 mmt180 -64.32 -45.53 87.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.525 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 19.3 t30 -42.94 -53.49 4.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.825 . . . . 0.0 109.678 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.36 -52.35 65.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.481 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.94 86.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.477 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -67.06 -39.61 86.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.372 -0.83 . . . . 0.0 109.596 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.35 -48.97 18.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.207 -0.933 . . . . 0.0 109.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -38.26 78.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.321 -0.862 . . . . 0.0 109.739 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 14.5 tppt? -52.59 -31.01 34.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.85 -42.06 16.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 110.157 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -20.65 6.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.19 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.314 0.578 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.09 -159.71 31.79 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.38 156.98 43.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 50.8 p90 -157.32 -157.25 0.66 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.249 -0.907 . . . . 0.0 110.22 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 4' ' ' TYR . 23.0 m-85 -145.36 170.17 16.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.067 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.4 t -152.0 137.9 18.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.156 -0.965 . . . . 0.0 110.478 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.64 144.41 48.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.438 ' C ' HD12 ' A' ' 9' ' ' ILE . 6.4 mt-30 -127.11 143.57 51.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.0 110.413 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.853 HG22 ' H ' ' A' ' 11' ' ' GLY . 4.1 mp -140.62 145.6 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 110.146 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.22 20.68 18.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 0.0 110.166 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.853 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -127.74 130.37 6.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -76.66 -34.2 58.28 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -1.175 . . . . 0.0 110.34 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.24 -35.19 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.893 . . . . 0.0 110.545 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' CD ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -83.17 -44.98 14.45 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.588 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 19' ' ' ARG . 82.9 t80 -48.5 -51.89 25.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.459 -0.776 . . . . 0.0 110.04 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.6 mm-40 -43.69 -37.35 2.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.644 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.645 ' OE1' HD21 ' B' ' 25' ' ' LEU . 2.7 mm-40 -68.32 -51.06 48.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -0.805 . . . . 0.0 110.134 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 95.6 m-85 -65.5 -58.15 6.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 9.1 tpt180 -42.92 -65.28 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.141 -0.974 . . . . 0.0 109.919 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.61 -43.56 46.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -64.47 -42.16 96.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.572 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 50.4 t30 -45.89 -45.3 15.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.349 -0.845 . . . . 0.0 109.451 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.58 -46.06 77.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.469 -0.77 . . . . 0.0 109.815 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.26 19.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 109.966 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD21 ' OE1' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -59.45 -39.62 84.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 0.0 109.79 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 64.4 tt0 -51.38 -39.66 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.482 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.26 -34.35 63.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.086 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 7.0 tptt -52.76 -51.95 58.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -76.33 -57.14 4.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.23 -26.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.262 -0.899 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -118.54 113.35 21.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 110.237 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 31' ' ' GLN . . . 57.64 -142.06 0.73 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 0.0 110.203 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.83 -38.33 2.28 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.297 -1.12 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.225 0.536 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.92 -159.8 32.03 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.28 157.02 43.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.229 -1.159 . . . . 0.0 110.163 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' B' ' 5' ' ' PHE . 50.9 p90 -157.31 -157.37 0.67 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.158 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' B' ' 4' ' ' TYR . 23.2 m-85 -145.38 170.23 16.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.925 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 t -151.99 138.04 18.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.98 . . . . 0.0 110.433 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.81 144.3 48.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.285 -0.885 . . . . 0.0 109.957 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 6.3 mt-30 -126.96 143.47 51.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.154 -0.966 . . . . 0.0 110.461 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.838 HG22 ' H ' ' B' ' 11' ' ' GLY . 4.1 mp -140.62 145.21 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -107.81 20.66 18.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.838 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -127.47 130.06 6.66 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt-85 -76.56 -34.43 58.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -1.161 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.52 -36.07 77.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 110.197 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.471 ' CD ' ' HA3' ' B' ' 11' ' ' GLY . 0.0 OUTLIER -82.38 -45.61 14.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.928 . . . . 0.0 110.035 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CZ ' ' HD3' ' B' ' 19' ' ' ARG . 81.3 t80 -47.9 -52.43 19.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 15' ' ' PHE . 6.7 mm-40 -43.16 -37.39 2.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.757 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.516 ' OE1' HD21 ' A' ' 25' ' ' LEU . 2.8 mm-40 -68.62 -50.95 47.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.2 m-85 -66.17 -57.1 8.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.877 . . . . 0.0 110.239 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.521 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 9.2 tpt180 -43.75 -64.9 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.179 -0.95 . . . . 0.0 109.715 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.93 -43.48 49.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.459 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -64.12 -41.67 97.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 0.0 109.556 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 52.0 t30 -46.25 -44.4 16.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.314 -0.866 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.0 -44.85 75.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.3 17.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.833 . . . . 0.0 109.925 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.645 HD21 ' OE1' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -59.53 -39.54 84.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 64.5 tt0 -51.75 -37.75 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.3 mt -76.17 -33.79 59.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 109.938 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 6.7 tptt -52.99 -51.8 60.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.017 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' GLN . 0.2 OUTLIER -76.7 -56.84 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.897 . . . . 0.0 110.201 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.6 -27.22 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.299 -0.876 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' B' ' 32' ' ' ALA . 1.0 OUTLIER -118.29 113.66 21.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 31' ' ' GLN . . . 57.27 -142.21 0.74 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -0.899 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.15 -38.58 2.19 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.243 -1.151 . . . . 0.0 110.255 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.254 0.55 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.81 -114.55 0.83 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.15 53.89 1.46 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -1.172 . . . . 0.0 110.228 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 10' ' ' ARG . 1.4 m-85 -132.64 138.43 47.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.207 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 23.7 m-85 -119.48 154.65 33.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 4.8 m -148.07 155.49 41.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -140.34 149.18 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.879 . . . . 0.0 110.234 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.1 133.09 50.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.895 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.69 158.94 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.333 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -115.69 37.76 3.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.097 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.74 141.88 8.12 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' B' ' 5' ' ' PHE . 66.5 ttt180 -81.89 -30.97 31.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -1.149 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.69 -35.68 81.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 110.372 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HA ' HD12 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.25 -45.05 14.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.159 -0.963 . . . . 0.0 109.548 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' HD12 ' B' ' 7' ' ' LEU . 56.0 t80 -61.21 -49.4 77.3 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.362 -0.836 . . . . 0.0 110.034 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.8 mm-40 -43.28 -39.67 3.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 0.0 109.775 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -67.59 -45.8 74.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 14.1 m-30 -64.14 -51.0 65.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.279 -0.888 . . . . 0.0 110.143 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.1 ttt-85 -46.81 -63.54 1.0 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.72 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -49.03 -42.7 39.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.522 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.5 mtt180 -64.06 -44.77 91.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 0.0 109.693 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 21.8 t30 -43.97 -46.84 8.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.28 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -53.1 60.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 109.512 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.13 -54.35 48.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.315 -0.865 . . . . 0.0 109.602 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' B' ' 14' ' ' ARG . 3.2 mm? -50.38 -45.47 55.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.323 -0.861 . . . . 0.0 109.553 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.24 -46.93 36.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.352 -0.842 . . . . 0.0 109.545 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.8 tp -73.18 -36.6 66.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.878 . . . . 0.0 109.976 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 10.6 tptp -50.68 -54.78 20.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -32.43 68.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 110.23 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.93 0.07 16.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.167 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -120.29 -40.75 2.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 110.222 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.47 -21.88 30.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 0.0 110.227 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.61 126.75 1.67 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.199 -1.177 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.282 0.563 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.77 -114.61 0.83 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.02 53.92 1.47 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' ARG . 1.3 m-85 -132.6 138.77 47.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 23.3 m-85 -119.84 154.38 34.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.267 -0.896 . . . . 0.0 110.157 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.2 m -147.94 155.41 41.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.21 -0.931 . . . . 0.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -140.29 149.08 42.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.235 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 30.8 mt-30 -126.96 133.16 50.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.79 158.83 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -115.61 37.7 3.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.65 141.81 8.08 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 66.5 ttt180 -81.84 -31.64 31.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.179 -1.189 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.82 -36.56 84.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.173 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -82.59 -45.38 14.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 109.889 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 7' ' ' LEU . 55.9 t80 -61.17 -49.04 78.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.985 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.8 mm-40 -43.45 -38.65 2.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.421 ' O ' ' HD2' ' B' ' 21' ' ' ARG . 1.2 mm100 -68.86 -44.88 72.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 109.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 14.5 m-30 -65.47 -49.86 67.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.939 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 12.6 ttt-85 -47.54 -62.91 1.21 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.542 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -49.77 -42.21 46.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.917 . . . . 0.0 109.556 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.589 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.5 mtt180 -64.23 -44.81 90.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.381 -0.824 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 23.1 t30 -43.64 -46.48 7.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 109.436 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -52.87 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 109.537 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -54.45 46.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 109.642 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.1 mm? -50.12 -45.55 52.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.66 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.48 -45.69 37.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.872 . . . . 0.0 109.672 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.7 tp -74.41 -36.68 63.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.791 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 10.4 tptp -50.51 -54.65 20.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.341 -0.849 . . . . 0.0 110.062 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -32.22 67.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.907 . . . . 0.0 110.177 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.11 17.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER -120.33 -40.58 2.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.8 30.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.49 126.83 1.69 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.298 -1.119 . . . . 0.0 110.206 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.298 0.57 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.62 -103.14 0.12 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -131.53 -170.78 2.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.22 -1.165 . . . . 0.0 110.22 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 33.3 p90 -155.67 177.79 10.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.92 161.49 20.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.522 HG23 ' O ' ' B' ' 7' ' ' LEU . 3.4 m -140.35 162.72 34.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 110.18 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -139.15 153.03 47.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.312 -0.867 . . . . 0.0 110.1 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -127.99 124.34 36.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.726 HD11 HD23 ' A' ' 7' ' ' LEU . 2.7 mp -122.23 147.76 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 2.4 ptt180 -110.59 48.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 0.0 110.217 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.82 140.63 5.78 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' GLU . 3.9 ttp180 -79.25 -56.0 4.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -1.133 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -43.34 -38.21 2.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.181 -0.949 . . . . 0.0 110.276 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' HE ' HG23 ' A' ' 9' ' ' ILE . 14.0 ttp-105 -82.73 -44.79 15.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.227 -0.921 . . . . 0.0 109.191 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 15.8 t80 -60.06 -53.72 54.41 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.386 -0.821 . . . . 0.0 109.668 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.1 mm-40 -42.88 -39.7 2.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.814 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 10.7 mm-40 -61.88 -48.4 80.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.713 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.646 ' CZ ' HD12 ' B' ' 25' ' ' LEU . 18.5 m-85 -67.18 -50.89 59.42 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.206 -0.934 . . . . 0.0 109.95 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 ttt180 -43.89 -72.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 0.0 110.023 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ARG . 51.6 mt-10 -44.63 -51.36 9.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 8.3 tpt180 -55.71 -41.37 73.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.884 . . . . 0.0 109.509 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.608 ' ND2' HD21 ' B' ' 7' ' ' LEU . 26.4 t-20 -47.13 -49.2 22.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.0 109.473 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 26' ' ' GLU . 73.5 tt0 -59.44 -51.53 69.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 109.611 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.62 35.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.264 -0.897 . . . . 0.0 109.774 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.663 HD12 ' CZ ' ' B' ' 18' ' ' PHE . 2.1 mt -63.74 -29.84 71.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.867 . . . . 0.0 109.725 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 31.7 tt0 -52.72 -47.59 67.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.236 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -40.12 78.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.61 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HD2' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -47.1 -52.38 15.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 179.713 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB2' ' NH1' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -67.41 -36.73 81.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 110.017 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.84 65.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 1.7 mm100 -102.77 -82.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 110.21 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB3' ' HD2' ' A' ' 28' ' ' LYS . . . -57.09 86.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 0.0 110.171 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -111.53 155.22 16.29 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.195 -1.18 . . . . 0.0 110.169 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.57 -103.03 0.11 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -131.56 -170.81 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -1.166 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 33.2 p90 -155.79 177.4 11.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.91 . . . . 0.0 110.217 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' ILE . 64.5 m-85 -118.5 161.77 19.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.906 . . . . 0.0 110.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 7' ' ' LEU . 3.2 m -140.83 162.76 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.722 HD23 HD11 ' B' ' 9' ' ' ILE . 0.6 OUTLIER -139.06 153.44 48.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 110.164 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.43 123.93 34.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 0.0 110.327 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.722 HD11 HD23 ' B' ' 7' ' ' LEU . 2.7 mp -122.02 147.6 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.127 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.402 ' HA ' ' HB2' ' A' ' 4' ' ' TYR . 2.4 ptt180 -110.4 49.11 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.229 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.79 140.58 5.76 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.0 ttp180 -79.37 -56.05 4.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -43.09 -40.28 3.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.516 ' HE ' HG23 ' B' ' 9' ' ' ILE . 13.8 ttp-105 -80.5 -44.97 18.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.0 109.626 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' B' ' 19' ' ' ARG . 15.1 t80 -60.56 -52.99 62.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.908 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.0 mm-40 -43.19 -39.19 2.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.373 -0.829 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 10.7 mm-40 -62.05 -48.35 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 0.0 109.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.663 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 20.2 m-85 -68.15 -49.4 61.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 109.856 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.493 ' HD2' ' CZ ' ' B' ' 15' ' ' PHE . 1.1 ttt180 -44.74 -72.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 109.701 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 19' ' ' ARG . 51.4 mt-10 -45.01 -51.24 10.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 8.1 tpt180 -55.71 -41.1 73.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.605 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.607 ' ND2' HD21 ' A' ' 7' ' ' LEU . 25.3 t-20 -47.08 -49.03 22.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.593 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 26' ' ' GLU . 73.2 tt0 -59.8 -50.88 72.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.375 -0.828 . . . . 0.0 109.626 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.96 47.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 109.782 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.646 HD12 ' CZ ' ' A' ' 18' ' ' PHE . 2.1 mt -64.34 -29.62 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.0 109.737 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' B' ' 23' ' ' GLU . 32.0 tt0 -53.05 -46.78 68.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.188 -0.945 . . . . 0.0 109.366 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -39.65 75.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.574 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.466 ' HD2' ' HB3' ' B' ' 32' ' ' ALA . 0.0 OUTLIER -47.3 -52.47 16.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.0 109.812 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.436 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -67.47 -36.5 81.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 110.086 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.72 65.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.053 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 33' ' ' GLY . 1.6 mm100 -102.83 -82.25 0.49 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.466 ' HB3' ' HD2' ' B' ' 28' ' ' LYS . . . -56.96 86.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.196 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . -111.58 155.18 16.32 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.26 -1.141 . . . . 0.0 110.205 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.26 0.552 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.6 178.39 38.38 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.11 107.48 1.24 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.265 -1.138 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -137.33 -176.2 4.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.76 164.29 22.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 65.7 m -152.51 150.42 29.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 3.0 mt-30 -122.62 134.25 54.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.0 110.298 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.828 HD13 ' HD1' ' A' ' 15' ' ' PHE . 2.9 mp -119.17 158.25 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.113 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -9.86 9.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.109 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.455 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -118.1 141.28 16.14 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 12.8 ttt180 -82.76 -32.95 27.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -56.46 -43.25 79.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 0.0 110.448 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.717 ' CB ' HD12 ' B' ' 25' ' ' LEU . 2.8 ptm180 -82.74 -37.76 24.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.599 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.828 ' HD1' HD13 ' A' ' 9' ' ' ILE . 65.8 t80 -56.6 -50.89 70.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.288 -0.882 . . . . 0.0 109.575 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.86 -38.89 4.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.0 109.617 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 2.8 mm-40 -63.46 -46.99 83.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.845 . . . . 0.0 109.706 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 15.0 m-30 -67.48 -51.5 50.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.6 tpt85 -42.48 -65.97 0.41 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.175 -0.953 . . . . 0.0 109.994 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.57 -36.28 44.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.523 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.1 OUTLIER -64.36 -51.04 65.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.376 -0.827 . . . . 0.0 109.63 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ARG . 6.0 t-20 -44.56 -49.65 10.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.282 -0.886 . . . . 0.0 109.483 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.11 -56.52 17.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.82 . . . . 0.0 109.778 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.01 79.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 109.903 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD12 ' CB ' ' B' ' 14' ' ' ARG . 2.7 mm? -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.823 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.96 -50.0 58.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 0.0 109.811 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.46 -32.38 69.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.94 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.3 tptt -59.7 -40.22 87.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.909 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -77.59 -47.61 18.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 110.072 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.15 -28.94 2.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -75.48 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.219 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.87 64.52 5.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.266 -0.896 . . . . 0.0 110.196 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.84 -9.89 60.24 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptt . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.214 -1.168 . . . . 0.0 110.206 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.294 0.568 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.6 178.4 38.37 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.07 107.55 1.25 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -1.136 . . . . 0.0 110.187 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.4 -176.2 4.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.258 -0.901 . . . . 0.0 110.197 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -127.72 164.31 22.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.151 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 63.8 m -152.43 150.41 29.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 110.301 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -0.879 . . . . 0.0 110.049 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 3.0 mt-30 -122.58 134.34 54.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.176 -0.953 . . . . 0.0 110.361 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.814 HD13 ' HD1' ' B' ' 15' ' ' PHE . 2.8 mp -119.25 158.11 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.93 -9.6 10.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 0.0 110.164 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.459 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -118.26 141.42 16.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -82.86 -33.53 27.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.69 -44.98 77.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 110.139 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.79 ' CB ' HD12 ' A' ' 25' ' ' LEU . 2.7 ptm180 -81.0 -38.19 27.96 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.963 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.814 ' HD1' HD13 ' B' ' 9' ' ' ILE . 65.1 t80 -56.29 -50.81 70.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.151 -0.968 . . . . 0.0 109.694 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 15' ' ' PHE . 13.8 mm-40 -44.77 -38.62 4.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.262 -0.899 . . . . 0.0 109.78 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 2.8 mm-40 -63.81 -46.4 85.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 15.1 m-30 -68.8 -49.81 55.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 110.002 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.4 tpt85 -43.64 -65.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.814 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.25 -35.51 50.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.557 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -64.95 -50.76 65.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 0.0 109.645 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 21' ' ' ARG . 5.9 t-20 -44.77 -49.55 10.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.529 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.24 -56.37 19.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.388 -0.82 . . . . 0.0 109.748 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.19 78.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 109.793 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.717 HD12 ' CB ' ' A' ' 14' ' ' ARG . 2.7 mm? -61.97 -38.09 87.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -51.16 -49.52 60.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.322 -0.861 . . . . 0.0 109.875 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.01 -32.21 68.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 0.0 109.84 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.9 tptt -59.71 -40.11 86.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -77.77 -47.6 18.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.124 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.85 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 110.122 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -75.49 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.81 64.56 5.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.143 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.04 -9.69 60.5 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 110.211 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.266 0.555 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.04 139.74 2.84 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -110.51 168.53 9.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -1.142 . . . . 0.0 110.021 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 5.9 p90 -140.24 -171.83 3.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 110.197 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' HB3' ' CD2' ' B' ' 15' ' ' PHE . 40.6 m-85 -118.85 178.88 4.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 110.213 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 98.6 m -157.49 155.7 30.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' B' ' 18' ' ' PHE . 0.9 OUTLIER -137.21 163.23 31.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 24.8 mt-30 -136.36 133.83 37.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 110.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 15' ' ' PHE . 3.2 mp -118.63 163.59 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -0.95 . . . . 0.0 110.106 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' N ' HG22 ' A' ' 9' ' ' ILE . 16.5 ttt-85 -128.44 -0.04 5.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.262 -0.899 . . . . 0.0 110.383 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.569 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -135.32 143.89 15.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -75.39 -39.42 59.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -1.145 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -53.5 -40.48 65.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' B' ' 25' ' ' LEU . 4.2 mtp180 -83.08 -47.28 11.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 109.286 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.631 ' HB2' HG21 ' A' ' 9' ' ' ILE . 50.6 t80 -47.86 -48.01 31.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 1.2 mm-40 -44.98 -39.72 5.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.347 -0.846 . . . . 0.0 109.587 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -66.28 -48.51 70.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.7 m-85 -63.02 -59.1 5.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.283 -0.886 . . . . 0.0 110.182 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 12.1 tpt85 -43.33 -69.17 0.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.12 -0.987 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' ARG . 7.3 tt0 -43.8 -41.45 5.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.609 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.605 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.1 mpt_? -67.29 -43.75 80.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.341 -0.85 . . . . 0.0 109.657 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' HB2' HD21 ' B' ' 7' ' ' LEU . 6.9 t-20 -44.71 -41.54 6.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.852 . . . . 0.0 109.465 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.55 -50.2 14.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.74 79.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.838 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.9 mm? -60.12 -41.11 91.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.839 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.44 -46.85 56.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.736 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.55 -35.98 63.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 109.939 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.8 tptt -47.87 -46.73 31.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 0.0 110.077 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.11 -30.0 31.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -75.68 -8.04 55.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -0.86 . . . . 0.0 110.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.553 ' HG3' HD23 ' A' ' 27' ' ' LEU . 24.6 mt-30 -85.51 -62.43 1.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.304 -0.872 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.49 -67.51 0.84 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 110.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 101.86 -46.04 1.31 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 33' ' ' GLY . 11.9 mtmm . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.268 -1.136 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.186 0.517 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.88 139.03 2.65 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -109.71 168.64 9.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -1.137 . . . . 0.0 110.214 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 6.3 p90 -140.58 -172.35 3.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.245 -0.909 . . . . 0.0 110.159 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.5 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 40.2 m-85 -118.37 179.37 4.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.256 -0.903 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 94.7 m -158.15 156.02 30.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.142 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 18' ' ' PHE . 0.9 OUTLIER -137.46 163.2 31.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.344 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 24.5 mt-30 -136.3 132.56 35.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.879 . . . . 0.0 110.171 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' B' ' 15' ' ' PHE . 3.2 mp -117.32 163.69 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.263 -0.898 . . . . 0.0 110.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.443 ' N ' HG22 ' B' ' 9' ' ' ILE . 16.6 ttt-85 -128.63 0.37 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 110.403 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.586 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -135.9 143.67 15.24 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -75.09 -40.09 60.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -1.102 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.53 -42.15 64.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.216 -0.928 . . . . 0.0 109.96 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 25' ' ' LEU . 4.1 mtp180 -81.43 -48.27 12.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 0.0 109.677 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.62 ' HB2' HG21 ' B' ' 9' ' ' ILE . 51.7 t80 -47.06 -47.72 22.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.08 -39.14 5.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.699 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -66.95 -48.66 67.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.95 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.5 m-85 -62.83 -58.68 6.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 110.049 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 12.1 tpt85 -44.05 -69.06 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 19' ' ' ARG . 7.3 tt0 -43.94 -41.33 5.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.669 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.587 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.1 mpt_? -67.09 -43.47 82.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.0 109.716 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 6.7 t-20 -44.89 -41.21 6.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.618 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -77.02 -50.63 12.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 0.0 109.761 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.87 78.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.86 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.9 mm? -60.07 -41.1 91.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.45 -46.09 56.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.937 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.531 HD23 ' HG3' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -75.34 -35.74 61.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.87 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.7 tptt -48.05 -46.2 33.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.294 -0.878 . . . . 0.0 109.994 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.83 -29.6 29.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' B' ' 27' ' ' LEU . . . -76.15 -8.09 56.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 110.238 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.531 ' HG3' HD23 ' B' ' 27' ' ' LEU . 24.7 mt-30 -85.33 -62.49 1.52 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.239 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.44 -67.54 0.83 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . 101.79 -45.93 1.33 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 33' ' ' GLY . 11.9 mtmm . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.272 -1.134 . . . . 0.0 110.197 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.231 0.539 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.08 72.14 0.06 OUTLIER Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -110.06 10.24 24.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.248 -1.148 . . . . 0.0 110.21 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -123.36 177.15 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.2 -0.938 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ILE . 97.9 m-85 -122.7 176.72 5.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -153.91 163.84 39.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.287 -0.883 . . . . 0.0 110.138 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' C ' ' HG2' ' A' ' 8' ' ' GLN . 2.6 mt -150.89 167.18 28.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.288 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 7' ' ' LEU . 2.1 mt-30 -129.36 132.87 47.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 110.129 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.471 HG12 ' CE2' ' A' ' 18' ' ' PHE . 5.2 mt -119.57 157.83 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -136.86 89.64 2.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 110.222 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.93 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.75 -50.86 7.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -1.149 . . . . 0.0 110.233 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 12' ' ' ARG . 1.4 mt-10 -42.6 -43.81 3.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.89 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.927 ' CB ' HD12 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -82.58 -38.58 23.44 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.225 -0.922 . . . . 0.0 109.331 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -53.52 -48.13 69.31 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.334 -0.854 . . . . 0.0 109.461 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -45.66 -34.16 3.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.855 . . . . 0.0 109.2 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 54.2 mm-40 -69.35 -46.92 65.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.477 ' CE1' ' HG2' ' B' ' 21' ' ' ARG . 96.3 m-85 -69.58 -57.45 5.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.863 . . . . 0.0 109.951 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.4 tpt180 -42.83 -64.04 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.763 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -47.94 -44.02 29.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -61.05 -37.1 81.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 0.0 109.468 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.0 t-20 -54.92 -58.86 5.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.384 -0.822 . . . . 0.0 109.561 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.51 -40.2 36.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -56.7 -47.34 80.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.434 -0.791 . . . . 0.0 109.511 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.922 HD12 ' CB ' ' B' ' 14' ' ' ARG . 0.8 OUTLIER -51.06 -43.94 61.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.0 109.34 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.7 tt0 -54.62 -53.53 53.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.361 -0.837 . . . . 0.0 109.723 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.41 -34.95 70.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -0.848 . . . . 0.0 109.894 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 15.6 tppt? -58.79 -35.02 72.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 109.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.56 -52.52 11.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 0.0 110.041 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.74 -8.64 37.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -60.0 2.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.202 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.59 -50.54 2.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.297 -0.877 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.84 -163.45 50.21 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.228 -1.16 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.224 0.535 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.98 72.13 0.06 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.94 10.02 24.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.253 -1.146 . . . . 0.0 110.196 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -123.23 177.11 5.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.325 -0.859 . . . . 0.0 110.269 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' ILE . 98.0 m-85 -122.67 176.55 5.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 0.0 110.204 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.0 m -153.76 163.78 39.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.402 ' C ' ' HG2' ' B' ' 8' ' ' GLN . 2.6 mt -150.82 167.06 28.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' B' ' 7' ' ' LEU . 2.1 mt-30 -129.27 132.62 47.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.281 -0.887 . . . . 0.0 110.11 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' B' ' 18' ' ' PHE . 5.2 mt -119.45 157.71 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.273 -0.892 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -136.76 89.89 2.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' B' ' 12' ' ' ARG . . . 138.91 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -43.79 -50.8 7.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -1.173 . . . . 0.0 110.22 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 12' ' ' ARG . 1.4 mt-10 -42.61 -45.36 4.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.922 ' CB ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -80.79 -38.85 27.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.73 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 67.2 t80 -53.37 -48.14 68.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.8 mm-40 -45.43 -33.63 2.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 0.0 109.419 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 54.1 mm-40 -69.96 -46.76 64.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.405 -0.809 . . . . 0.0 109.619 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.478 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 94.9 m-85 -70.03 -56.59 6.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.824 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.3 tpt180 -43.67 -63.89 0.76 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 109.63 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -48.14 -43.58 31.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.28 -0.888 . . . . 0.0 109.18 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -61.71 -36.82 82.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 109.45 179.317 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -54.67 -59.14 5.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.545 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -40.15 33.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.293 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 21' ' ' ARG . . . -56.89 -46.95 81.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.498 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.927 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -51.35 -43.31 61.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 179.316 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.509 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.7 tt0 -55.28 -53.18 59.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.387 -0.82 . . . . 0.0 109.618 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.77 -34.77 69.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.748 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' B' ' 28' ' ' LYS . 15.4 tppt? -58.95 -34.79 72.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.9 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.97 -52.65 10.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -0.833 . . . . 0.0 109.994 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.67 36.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 110.222 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -59.92 2.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 110.225 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.64 -50.63 2.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.303 -0.873 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.94 -163.44 50.51 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.305 -1.115 . . . . 0.0 110.133 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.216 0.531 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.08 -87.44 2.0 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.99 19.26 15.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -1.155 . . . . 0.0 110.241 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -140.29 166.57 24.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -119.21 -174.9 2.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.4 m -157.42 153.34 27.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -142.65 155.82 44.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.911 . . . . 0.0 110.22 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -118.67 140.08 50.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 15' ' ' PHE . 15.2 mm -120.99 168.26 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.286 -0.884 . . . . 0.0 110.306 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -149.34 29.69 0.78 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 0.0 110.316 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.09 115.1 0.64 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 9.2 ttp180 -62.42 -30.12 70.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 110.212 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -58.06 -55.05 40.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.808 ' CB ' HD12 ' B' ' 25' ' ' LEU . 17.6 ptt180 -82.6 -34.22 27.72 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.2 -0.937 . . . . 0.0 109.514 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CE1' HD12 ' B' ' 7' ' ' LEU . 82.9 t80 -54.9 -55.49 30.01 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.315 -0.866 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.0 mm-40 -43.58 -35.18 1.62 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.815 . . . . 0.0 109.659 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 17.8 mt-30 -67.47 -42.97 82.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.906 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -74.92 -54.5 7.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.312 -0.867 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 58.9 ttt180 -44.85 -63.11 0.99 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.151 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -52.62 -46.47 67.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.4 mmt180 -65.68 -42.9 90.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.93 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 5.1 t-20 -44.53 -48.46 10.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.74 -51.67 63.87 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.419 -0.801 . . . . 0.0 109.358 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.55 -47.88 80.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.372 -0.83 . . . . 0.0 109.204 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.803 HD12 ' CB ' ' B' ' 14' ' ' ARG . 1.1 mm? -61.57 -38.44 87.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.378 -0.826 . . . . 0.0 109.292 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.26 -43.85 43.26 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.35 -0.843 . . . . 0.0 109.236 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' GLN . 2.0 tp -69.21 -36.61 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.383 -0.823 . . . . 0.0 109.872 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 3.6 tptp -56.25 -53.51 56.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.062 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' B' ' 13' ' ' GLU . 1.3 m-20 -72.4 -66.31 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 0.0 110.154 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.77 -31.82 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 0.0 110.184 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' GLY . 70.3 mt-30 -151.87 109.91 3.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 110.017 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -42.22 94.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 0.0 110.205 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -78.58 113.56 3.72 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.249 -1.147 . . . . 0.0 110.192 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.278 0.561 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.9 -87.39 2.0 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.08 19.41 14.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -1.165 . . . . 0.0 110.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -140.47 166.92 23.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.206 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -119.6 -174.81 2.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 55.7 m -157.4 153.5 27.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.1 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.641 HD12 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -142.99 154.83 44.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -117.64 140.64 49.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.441 HG21 ' HB2' ' B' ' 15' ' ' PHE . 15.2 mm -121.41 168.2 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 110.227 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -149.21 29.71 0.79 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 110.276 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.18 114.89 0.63 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 9.3 ttp180 -62.09 -30.91 71.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -1.124 . . . . 0.0 110.124 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.407 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 6.5 mp0 -57.14 -57.11 14.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.903 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.803 ' CB ' HD12 ' A' ' 25' ' ' LEU . 17.4 ptt180 -80.43 -34.61 35.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -0.931 . . . . 0.0 109.893 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.624 ' CE1' HD12 ' A' ' 7' ' ' LEU . 83.6 t80 -54.48 -55.81 25.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.822 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.23 -34.76 1.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.831 . . . . 0.0 109.885 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 17.9 mt-30 -68.09 -42.0 81.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.0 109.965 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.63 -52.76 9.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.0 110.0 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 58.1 ttt180 -46.09 -62.37 1.36 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 110.038 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -53.44 -45.94 69.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' ASN . 13.4 mmt180 -65.87 -43.11 89.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 5.2 t-20 -44.53 -48.33 10.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.331 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.88 -51.63 63.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.27 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.8 81.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.29 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.808 HD12 ' CB ' ' A' ' 14' ' ' ARG . 1.1 mm? -61.75 -38.1 86.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.401 -0.812 . . . . 0.0 109.366 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.67 -42.29 45.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.281 -0.887 . . . . 0.0 109.421 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' B' ' 31' ' ' GLN . 2.0 tp -70.71 -36.21 73.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.397 -0.814 . . . . 0.0 109.699 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 3.3 tptp -56.42 -53.08 61.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 0.0 110.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' B' ' 30' ' ' ALA . 1.3 m-20 -73.04 -66.34 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.221 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.81 -31.64 0.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 33' ' ' GLY . 70.0 mt-30 -152.05 109.57 3.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.881 . . . . 0.0 110.119 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 31' ' ' GLN . . . -42.14 94.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . -78.88 113.89 3.78 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.208 -1.172 . . . . 0.0 110.141 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.28 -133.48 6.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.97 128.0 13.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -1.153 . . . . 0.0 110.221 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 51.1 p90 -133.72 165.66 24.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 0.0 110.237 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' B' ' 12' ' ' ARG . 61.1 m-85 -120.85 165.58 14.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.946 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 7' ' ' LEU . 3.7 m -156.69 153.79 29.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.918 . . . . 0.0 110.163 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' B' ' 19' ' ' ARG . 1.3 mt -140.79 148.02 39.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 110.191 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.52 134.6 55.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.531 HG23 ' NH2' ' A' ' 14' ' ' ARG . 2.9 mp -120.47 153.48 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 110.186 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -107.57 -9.37 15.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.235 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -114.74 123.46 6.01 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HB2' ' CE1' ' B' ' 5' ' ' PHE . 42.3 ttt180 -62.27 -47.24 85.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -1.168 . . . . 0.0 110.204 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.04 -33.78 2.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.531 ' NH2' HG23 ' A' ' 9' ' ' ILE . 20.1 mtp180 -82.75 -40.27 20.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.416 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 73.6 t80 -61.86 -50.25 73.01 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.441 -0.787 . . . . 0.0 110.0 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.4 mm-40 -43.52 -39.83 3.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.71 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -66.84 -46.0 76.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.342 -0.849 . . . . 0.0 109.911 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 10.1 m-30 -68.32 -53.14 26.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.892 . . . . 0.0 110.233 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 29.5 tpt180 -43.24 -58.11 2.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.168 -0.957 . . . . 0.0 109.8 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.79 -42.15 64.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.596 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -63.55 -48.12 78.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 0.0 109.809 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.444 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 20.7 t-20 -43.0 -51.95 5.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.873 . . . . 0.0 109.754 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.51 -50.5 72.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.21 66.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.891 . . . . 0.0 109.685 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.5 mm? -58.36 -35.97 72.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.3 -46.11 65.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.268 -0.895 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 12.1 tp -74.86 -29.27 60.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.402 -0.812 . . . . 0.0 109.927 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -56.6 -61.72 2.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 109.967 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -27.56 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -79.06 -2.29 39.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.094 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 1.5 mt-30 -79.62 -67.05 0.8 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.199 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.39 28.42 1.47 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 0.0 110.171 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.75 -33.13 1.21 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.202 -1.175 . . . . 0.0 110.223 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.213 0.53 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.38 -133.53 6.51 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.88 128.18 13.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.172 -1.193 . . . . 0.0 110.238 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -133.71 165.81 24.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.229 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' B' ' 5' ' ' PHE . 61.9 m-85 -121.01 165.75 14.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m -156.83 153.83 28.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.428 HD11 ' HD2' ' A' ' 19' ' ' ARG . 1.3 mt -140.83 147.95 39.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 110.181 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.43 134.73 55.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.316 -0.865 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.536 HG23 ' NH2' ' B' ' 14' ' ' ARG . 2.9 mp -120.59 153.6 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 0.0 110.048 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -107.59 -10.06 15.76 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 110.203 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.488 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -114.24 123.52 6.09 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 42.6 ttt180 -62.08 -47.81 83.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.224 -1.162 . . . . 0.0 110.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 12' ' ' ARG . 2.1 tt0 -43.98 -35.91 2.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.895 . . . . 0.0 110.018 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.536 ' NH2' HG23 ' B' ' 9' ' ' ILE . 19.7 mtp180 -80.78 -40.48 25.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.895 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' B' ' 19' ' ' ARG . 73.8 t80 -61.84 -50.05 73.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.307 -0.871 . . . . 0.0 110.027 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.35 -39.83 3.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.822 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.06 -45.9 75.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.899 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 10.0 m-30 -68.7 -52.2 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.495 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 29.5 tpt180 -44.36 -57.02 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.142 -0.974 . . . . 0.0 109.76 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.99 -41.48 67.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.675 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -63.98 -47.98 78.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.404 -0.81 . . . . 0.0 109.857 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 21' ' ' ARG . 3.9 t30 -43.24 -51.73 6.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.349 -0.844 . . . . 0.0 109.776 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -57.52 -50.32 73.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.869 . . . . 0.0 109.613 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.23 -52.06 66.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.334 -0.854 . . . . 0.0 109.725 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' B' ' 25' ' ' LEU . 2.6 mm? -58.53 -35.47 72.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 109.639 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.63 -44.86 66.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.432 ' HA ' ' HB3' ' B' ' 30' ' ' ALA . 11.9 tp -76.37 -28.76 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.376 -0.828 . . . . 0.0 109.789 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.475 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -57.06 -60.81 3.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.402 -0.811 . . . . 0.0 109.911 179.715 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -72.61 -26.81 61.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -0.909 . . . . 0.0 110.021 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' B' ' 27' ' ' LEU . . . -79.74 -2.46 43.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 110.157 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' B' ' 28' ' ' LYS . 1.6 mt-30 -79.42 -66.89 0.81 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.46 28.35 1.5 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.9 . . . . 0.0 110.223 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.7 -33.13 1.21 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.226 -1.161 . . . . 0.0 110.264 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.258 0.551 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.79 -103.13 0.21 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -107.25 3.72 25.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.241 -1.152 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -159.17 -169.85 2.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 13.7 m-85 -135.16 161.38 35.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.312 -0.867 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -134.48 129.01 34.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.941 . . . . 0.0 110.423 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' B' ' 7' ' ' LEU . 1.7 tt -118.94 143.28 47.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.275 -0.891 . . . . 0.0 109.975 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -128.55 137.94 51.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.338 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.701 HD13 ' HD1' ' A' ' 15' ' ' PHE . 2.4 mp -130.05 151.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.118 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 10' ' ' ARG . 12.2 ttt180 -120.58 -1.01 10.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.189 -0.945 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.488 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -112.85 126.74 7.63 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.41 75.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -1.17 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.05 -35.27 79.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.798 ' HB3' HD12 ' B' ' 25' ' ' LEU . 9.1 mpt_? -82.82 -40.12 20.79 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.316 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.701 ' HD1' HD13 ' A' ' 9' ' ' ILE . 40.1 t80 -51.03 -46.74 61.68 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.056 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.99 -37.45 4.04 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.372 -0.83 . . . . 0.0 109.005 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -65.49 -51.17 61.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.423 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' B' ' 21' ' ' ARG . 96.7 m-85 -69.43 -51.99 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 109.617 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' PHE . 2.5 tpt180 -43.1 -66.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ARG . 89.8 mt-10 -44.7 -49.57 10.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' B' ' 18' ' ' PHE . 4.5 tpt180 -56.66 -38.2 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.389 -0.819 . . . . 0.0 109.454 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.54 -50.89 61.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 109.357 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -47.28 82.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 109.39 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -50.3 70.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.399 -0.813 . . . . 0.0 109.503 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -46.27 -47.12 18.22 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.552 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.801 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -53.8 -52.44 60.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.808 . . . . 0.0 109.703 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -26.14 64.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.845 . . . . 0.0 109.829 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -74.85 -29.69 61.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 0.0 110.005 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.88 -44.77 30.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.984 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -17.43 4.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 109.945 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -62.83 1.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 110.146 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.14 54.17 2.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 110.193 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.5 -148.63 20.98 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.224 -1.162 . . . . 0.0 110.247 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.24 0.543 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.89 -103.24 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.28 3.96 26.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -1.153 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -159.26 -169.59 2.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.23 -0.918 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 13.6 m-85 -135.53 161.22 36.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.404 ' O ' HG23 ' B' ' 6' ' ' THR . 3.1 t -134.43 129.09 34.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.165 -0.959 . . . . 0.0 110.429 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . 1.7 tt -118.97 143.42 47.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.336 -0.853 . . . . 0.0 109.894 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -128.65 137.85 51.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.098 -1.001 . . . . 0.0 110.362 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.703 HD13 ' HD1' ' B' ' 15' ' ' PHE . 2.4 mp -129.86 151.79 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.902 . . . . 0.0 110.191 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' B' ' 10' ' ' ARG . 12.0 ttt180 -120.66 -0.55 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.35 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.48 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -113.31 126.53 7.47 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.66 -37.17 76.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -1.138 . . . . 0.0 110.155 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.16 -36.82 83.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.942 . . . . 0.0 110.042 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' B' ' 14' ' ' ARG . 9.2 mpt_? -81.06 -40.78 23.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 109.678 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.703 ' HD1' HD13 ' B' ' 9' ' ' ILE . 39.7 t80 -50.63 -46.86 58.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.0 109.31 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.2 mm-40 -44.53 -37.55 3.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.868 . . . . 0.0 109.282 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.46 -50.8 63.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.51 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 94.8 m-85 -70.31 -50.95 33.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.469 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' B' ' 18' ' ' PHE . 2.4 tpt180 -43.79 -66.13 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.506 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 19' ' ' ARG . 89.5 mt-10 -45.36 -49.08 13.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 4.7 tpt180 -56.92 -37.93 72.17 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.418 -0.801 . . . . 0.0 109.493 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -52.77 -51.09 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.357 -0.839 . . . . 0.0 109.323 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.42 -47.17 82.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.361 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.0 109.457 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.825 HD23 ' N ' ' B' ' 26' ' ' GLU . 0.9 OUTLIER -46.33 -47.12 18.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.401 -0.812 . . . . 0.0 109.471 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.825 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.2 tt0 -53.9 -52.39 60.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.81 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -26.14 64.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.333 -0.854 . . . . 0.0 109.832 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.89 61.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.376 -0.827 . . . . 0.0 109.996 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.507 ' OD1' ' NH1' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -76.68 -44.8 32.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.011 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -17.41 4.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.981 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -62.78 1.53 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 110.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.19 54.09 2.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 110.244 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.39 -148.59 20.71 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.486 ' HA ' ' CE1' ' A' ' 4' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.232 0.539 . . . . 0.0 110.175 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.59 -23.55 8.9 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -113.55 -17.74 12.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -1.144 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 1' ' ' ASP . 26.4 p90 -137.23 166.95 22.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -118.88 171.96 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 109.964 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 7' ' ' LEU . 47.1 m -158.83 162.93 37.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 110.4 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' HG23 ' B' ' 6' ' ' THR . 2.0 mt -147.86 165.16 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.143 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -126.72 129.83 49.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.629 HG23 ' NE ' ' A' ' 14' ' ' ARG . 35.7 mt -126.41 148.1 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.278 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -118.42 98.57 6.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.895 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.41 135.79 3.64 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.1 -21.0 33.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -1.127 . . . . 0.0 110.26 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -61.47 -48.02 83.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.629 ' NE ' HG23 ' A' ' 9' ' ' ILE . 8.6 ptm180 -83.39 -40.7 19.04 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 109.682 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 88.8 t80 -51.04 -49.72 59.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 3.7 mm-40 -45.43 -36.2 4.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.332 -0.855 . . . . 0.0 109.7 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -68.46 -47.22 67.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.302 -0.874 . . . . 0.0 110.048 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 88.1 m-85 -64.18 -55.34 22.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HD2' HD21 ' B' ' 7' ' ' LEU . 9.2 tpt180 -43.53 -58.44 2.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.03 -1.043 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.36 -48.58 25.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.842 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.602 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 2.9 mmt180 -57.91 -49.86 75.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.301 -0.874 . . . . 0.0 109.927 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 1.7 t30 -40.64 -48.1 2.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.66 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.53 -56.61 16.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.0 109.823 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.83 76.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.0 109.733 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.2 mm? -59.49 -44.51 93.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -47.39 11.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.171 -0.956 . . . . 0.0 109.268 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.6 mt -66.73 -48.28 69.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.77 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CD ' ' HB3' ' A' ' 32' ' ' ALA . 1.4 tppp? -43.03 -36.7 1.67 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.236 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.2 -42.51 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.386 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.06 7.89 12.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 110.462 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.5 mt-30 -135.01 -77.48 0.45 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.532 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . . . -69.77 -68.2 0.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 110.185 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 65.52 78.1 0.24 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.2 mttt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.266 -1.138 . . . . 0.0 110.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.471 ' HA ' ' CE1' ' B' ' 4' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.313 0.578 . . . . 0.0 110.222 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.5 -23.56 8.95 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -113.53 -17.76 12.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.257 -1.143 . . . . 0.0 110.237 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.471 ' CE1' ' HA ' ' B' ' 1' ' ' ASP . 26.5 p90 -137.37 166.51 23.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.261 -0.899 . . . . 0.0 110.226 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -118.36 172.11 7.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.873 . . . . 0.0 109.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 7' ' ' LEU . 46.8 m -158.99 162.83 36.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 0.0 110.319 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 2.0 mt -147.75 165.33 30.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.1 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -126.83 129.49 48.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.903 . . . . 0.0 110.073 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.626 HG23 ' NE ' ' B' ' 14' ' ' ARG . 35.2 mt -126.21 147.97 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.307 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.28 98.77 6.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.25 135.53 3.61 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -1.148 . . . . 0.0 110.232 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -60.9 -48.77 80.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.626 ' NE ' HG23 ' B' ' 9' ' ' ILE . 8.4 ptm180 -82.73 -40.66 20.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 110.056 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' B' ' 14' ' ' ARG . 89.2 t80 -51.14 -49.42 60.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.961 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' B' ' 12' ' ' ARG . 3.7 mm-40 -45.36 -36.09 3.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -68.54 -46.89 68.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 110.132 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 90.2 m-85 -65.36 -53.33 45.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' B' ' 18' ' ' PHE . 9.5 tpt180 -45.06 -56.7 4.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.56 -47.58 49.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 109.865 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.524 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.0 mmt180 -58.51 -48.65 80.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.937 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 1.7 t30 -41.99 -47.31 4.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.453 -0.779 . . . . 0.0 109.848 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.45 -55.64 22.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 0.0 109.735 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -49.52 77.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.51 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 3.2 mm? -59.65 -44.51 93.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.765 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.07 -46.8 11.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 109.415 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.6 mt -67.33 -48.32 67.88 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.365 -0.834 . . . . 0.0 109.685 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.544 ' CD ' ' HB3' ' B' ' 32' ' ' ALA . 1.4 tppp? -43.0 -36.48 1.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 110.119 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.53 -42.41 22.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.272 -0.893 . . . . 0.0 110.389 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.18 7.73 12.85 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.0 110.433 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.4 mt-30 -134.83 -77.44 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.179 -0.95 . . . . 0.0 110.286 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.544 ' HB3' ' CD ' ' B' ' 28' ' ' LYS . . . -69.83 -68.02 0.44 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.878 . . . . 0.0 110.252 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 34' ' ' LYS . . . 65.3 78.32 0.22 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 33' ' ' GLY . 16.2 mttt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.287 -1.125 . . . . 0.0 110.246 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.249 0.547 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.46 -27.7 7.89 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.47 93.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.251 -1.146 . . . . 0.0 110.141 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.37 163.48 37.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 0.0 110.289 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 71.1 m-85 -134.19 171.46 14.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.25 -0.906 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 t -149.44 135.2 18.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -130.12 149.86 51.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.863 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 9' ' ' ILE . 3.3 mt-30 -134.68 147.13 50.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.165 -0.959 . . . . 0.0 110.213 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 8' ' ' GLN . 41.3 mm -125.71 156.13 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.28 28.21 8.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.533 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -167.18 155.79 27.12 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.15 -26.39 23.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -1.13 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.67 -41.19 97.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.706 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.26 -41.46 18.3 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.247 -0.908 . . . . 0.0 109.444 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 51.4 t80 -48.92 -46.01 42.34 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.288 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.7 mm-40 -45.21 -34.4 2.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.372 -0.83 . . . . 0.0 109.142 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.2 mm-40 -72.82 -46.48 52.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.35 -0.844 . . . . 0.0 109.548 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.576 ' CE1' HD21 ' A' ' 7' ' ' LEU . 95.6 m-85 -65.48 -59.14 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.376 -0.828 . . . . 0.0 110.056 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 2.4 tpt180 -45.5 -48.86 14.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.927 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.1 -51.07 45.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.317 -0.864 . . . . 0.0 109.804 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 1.2 mmp_? -59.16 -44.05 92.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 109.821 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t-20 -43.81 -51.8 7.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.88 -46.99 87.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.433 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -59.2 -41.68 89.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.327 -0.858 . . . . 0.0 109.614 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 26' ' ' GLU . 3.3 tt -49.85 -57.56 7.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.722 ' N ' HD23 ' A' ' 25' ' ' LEU . 12.2 tt0 -47.45 -48.77 26.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -27.6 64.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.431 -0.793 . . . . 0.0 110.08 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' CG ' ' HD3' ' B' ' 14' ' ' ARG . 4.3 tptp -79.93 -42.17 24.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 0.0 110.051 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' OD2' ' HG ' ' A' ' 25' ' ' LEU . 4.0 m-20 -58.47 -46.0 87.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 109.891 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -31.31 5.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 110.002 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' LYS . 17.3 mt-30 -112.05 137.17 50.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 0.0 110.04 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 47.97 32.18 2.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.125 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.64 -170.17 15.47 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.263 -1.139 . . . . 0.0 110.257 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.2 0.524 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.56 -27.74 7.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.37 93.98 0.13 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.232 -1.158 . . . . 0.0 110.155 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.21 163.62 37.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.931 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 72.2 m-85 -134.12 171.42 14.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -149.72 135.0 18.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' B' ' 18' ' ' PHE . 0.7 OUTLIER -130.27 149.51 51.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.648 ' O ' HD13 ' B' ' 9' ' ' ILE . 3.2 mt-30 -134.25 147.5 50.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 110.23 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.648 HD13 ' O ' ' B' ' 8' ' ' GLN . 41.1 mm -125.86 156.32 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.902 . . . . 0.0 110.169 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.44 28.33 8.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.0 110.154 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.528 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -167.28 155.82 27.15 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.19 -27.08 23.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -1.152 . . . . 0.0 110.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.78 -42.46 97.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.078 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.613 ' HB3' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.04 -41.85 20.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.872 179.703 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.2 t80 -48.4 -46.11 36.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.481 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.7 mm-40 -44.85 -34.42 2.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.908 . . . . 0.0 109.354 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 4.3 mm-40 -73.0 -45.57 57.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.653 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 95.7 m-85 -66.73 -58.46 5.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.854 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.47 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 2.4 tpt180 -46.24 -47.96 17.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.776 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.14 -50.68 58.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.882 . . . . 0.0 109.86 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.2 mmp_? -59.59 -43.28 93.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.26 -0.9 . . . . 0.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 5.7 t-20 -44.53 -51.31 8.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.599 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.66 -45.69 93.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 109.46 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -60.39 -41.01 92.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.0 109.538 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.715 HD23 ' N ' ' B' ' 26' ' ' GLU . 3.2 tt -50.12 -57.32 7.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.318 -0.864 . . . . 0.0 109.469 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.715 ' N ' HD23 ' B' ' 25' ' ' LEU . 11.9 tt0 -47.7 -47.86 29.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.449 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -71.39 -27.59 63.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.8 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 3.0 tptp -79.66 -42.19 25.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 0.0 109.97 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.458 ' OD2' ' HG ' ' B' ' 25' ' ' LEU . 4.1 m-20 -58.99 -46.07 89.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.992 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.79 -31.52 5.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.929 . . . . 0.0 110.012 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -111.89 136.9 50.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 0.0 110.067 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 48.11 32.21 2.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.199 -0.938 . . . . 0.0 110.127 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.63 -170.3 15.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.228 -1.16 . . . . 0.0 110.233 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 54.9 p30 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.242 0.544 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.24 109.37 0.32 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -139.5 61.82 1.54 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -1.106 . . . . 0.0 110.177 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 150.45 51.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -120.19 156.92 30.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 7' ' ' LEU . 16.0 m -141.19 170.72 15.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 110.381 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.566 ' N ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -153.12 153.37 32.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.249 -0.907 . . . . 0.0 110.051 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.31 132.8 52.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 0.0 110.159 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.664 HG23 ' CD1' ' B' ' 25' ' ' LEU . 3.3 mp -122.86 151.96 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.15 52.59 1.79 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.39 148.86 8.68 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -84.07 -27.9 27.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -1.163 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -73.35 -35.01 65.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 110.158 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.733 ' CB ' HD12 ' B' ' 25' ' ' LEU . 2.9 mtt85 -82.78 -38.4 23.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.29 -0.881 . . . . 0.0 109.215 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HD1' HD13 ' A' ' 9' ' ' ILE . 33.7 t80 -53.39 -42.35 66.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.268 -0.895 . . . . 0.0 109.307 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.1 -40.1 44.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.339 -0.851 . . . . 0.0 109.271 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -63.34 -44.73 94.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.35 179.299 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' ARG . 93.7 m-85 -70.64 -57.05 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 109.912 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.7 ttt85 -42.04 -68.06 0.22 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 109.974 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.25 -44.93 16.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 0.0 109.5 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -58.99 -39.68 82.52 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 109.64 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.2 t-20 -53.81 -49.95 67.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 109.62 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.47 -43.64 75.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.294 -0.879 . . . . 0.0 109.631 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -56.6 -40.38 75.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.822 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.842 ' CD1' HG23 ' B' ' 9' ' ' ILE . 1.5 tt -57.62 -54.45 46.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.671 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.782 ' N ' HD23 ' A' ' 25' ' ' LEU . 4.8 tm-20 -46.64 -56.97 5.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.0 109.688 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' C ' HD23 ' A' ' 27' ' ' LEU . 6.1 tt -68.6 -35.34 77.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.375 -0.828 . . . . 0.0 109.827 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.4 tptt -63.33 -38.3 90.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 110.013 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' ' NE ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -74.86 -51.57 13.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.973 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.48 -21.96 2.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.3 -0.875 . . . . 0.0 109.993 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.546 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 10.6 mm100 -94.87 141.09 29.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 31' ' ' GLN . . . 60.61 32.92 20.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 110.145 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 -148.53 7.2 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.213 -1.169 . . . . 0.0 110.212 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' B' ' 1' ' ' ASP . 54.3 p30 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.297 0.57 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.22 109.62 0.33 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -139.66 61.49 1.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -1.142 . . . . 0.0 110.16 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 150.56 51.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 110.294 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' A' ' 9' ' ' ILE . 76.4 m-85 -120.21 157.4 29.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.908 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.584 HG22 ' N ' ' B' ' 7' ' ' LEU . 15.1 m -141.73 171.03 14.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.584 ' N ' HG22 ' B' ' 6' ' ' THR . 0.6 OUTLIER -153.27 153.61 33.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.131 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.52 132.44 52.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.184 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.842 HG23 ' CD1' ' A' ' 25' ' ' LEU . 3.3 mp -122.51 152.02 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.23 52.67 1.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.53 148.63 8.51 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -83.69 -28.6 28.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -1.143 . . . . 0.0 110.226 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.46 -36.49 68.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.173 -0.954 . . . . 0.0 109.929 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.696 ' CB ' HD12 ' A' ' 25' ' ' LEU . 2.8 mtt85 -81.37 -38.49 26.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.905 . . . . 0.0 109.627 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.433 ' HD1' HD13 ' B' ' 9' ' ' ILE . 33.5 t80 -53.39 -42.19 66.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.0 109.539 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.62 -40.85 40.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -62.67 -44.85 95.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 93.9 m-85 -70.86 -56.19 6.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 109.802 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 ttt85 -42.88 -67.77 0.25 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 0.0 109.773 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.62 -44.47 18.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.2 -0.937 . . . . 0.0 109.492 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -39.87 84.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -53.44 -50.03 66.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.859 . . . . 0.0 109.642 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.49 -43.64 75.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.285 -0.884 . . . . 0.0 109.717 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -56.79 -40.05 75.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.827 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.768 HD23 ' N ' ' B' ' 26' ' ' GLU . 1.5 tt -57.77 -54.53 45.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.331 -0.855 . . . . 0.0 109.729 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.768 ' N ' HD23 ' B' ' 25' ' ' LEU . 4.9 tm-20 -46.6 -56.98 5.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.711 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.572 HD23 ' C ' ' B' ' 27' ' ' LEU . 6.1 tt -68.66 -35.15 76.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.795 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 4.3 tptt -63.46 -38.36 90.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.94 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.46 ' OD2' ' NE ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -74.91 -51.53 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.343 -0.848 . . . . 0.0 110.022 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.69 -21.72 2.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 109.984 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.55 ' O ' ' HB3' ' B' ' 32' ' ' ALA . 10.5 mm100 -95.03 141.05 29.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.884 . . . . 0.0 110.05 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' B' ' 31' ' ' GLN . . . 60.66 32.93 20.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.224 -0.922 . . . . 0.0 110.135 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.87 -148.49 7.19 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.194 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.272 0.558 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.11 157.61 28.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.69 -38.08 5.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.286 -1.126 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 10.8 p90 -125.44 177.46 6.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.253 -0.904 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.57 -179.86 4.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.2 t -152.13 143.34 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -129.95 140.76 50.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.178 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -128.16 134.46 49.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 11' ' ' GLY . 6.6 mt -130.07 142.41 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.175 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 45.0 1.25 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 110.144 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -155.9 133.48 3.73 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.5 -48.93 29.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.01 -36.64 60.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 110.269 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.86 ' HG3' HD21 ' B' ' 25' ' ' LEU . 20.0 mmt180 -83.07 -48.57 10.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.371 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD2' ' CG ' ' B' ' 5' ' ' PHE . 10.4 t80 -47.89 -46.54 31.68 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.66 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -45.88 -38.18 7.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.0 109.41 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 17.4 mt-30 -67.69 -47.31 69.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.373 -0.829 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.721 ' CE1' HD12 ' B' ' 25' ' ' LEU . 96.5 m-85 -72.02 -54.4 10.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.307 -0.871 . . . . 0.0 109.78 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 7.7 ttp180 -46.72 -65.81 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.223 -0.923 . . . . 0.0 109.802 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -48.21 -41.6 27.79 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.209 -0.932 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 3.9 tpt180 -60.62 -42.77 97.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.564 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.581 ' HB2' HD11 ' B' ' 7' ' ' LEU . 18.1 t-20 -51.13 -50.92 57.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.401 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -52.13 -52.54 50.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.0 109.168 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.86 38.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.291 -0.881 . . . . 0.0 109.006 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD11 HG23 ' B' ' 9' ' ' ILE . 1.7 tt -56.86 -57.74 11.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.466 -0.771 . . . . 0.0 109.304 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.39 -36.47 9.74 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.245 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -80.18 -44.51 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 109.934 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 6.4 tppt? -65.47 -35.62 81.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -50.23 43.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -14.79 63.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 3.1 mt-30 -80.93 -69.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.209 -0.932 . . . . 0.0 110.142 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.89 61.19 3.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 0.0 110.136 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.67 -61.78 4.05 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.19 -1.183 . . . . 0.0 110.245 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 47.7 t0 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.267 0.556 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.97 157.55 28.35 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.66 -37.96 5.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.298 -1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 10.8 p90 -125.61 177.45 6.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.536 ' CG ' ' CD2' ' A' ' 15' ' ' PHE . 32.5 m-85 -120.58 -179.88 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.253 -0.905 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -152.14 143.21 23.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.211 -0.931 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 22' ' ' ASN . 10.8 tp -129.73 141.05 50.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.0 mt-30 -128.33 134.42 48.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -0.942 . . . . 0.0 110.224 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.568 HG23 HD11 ' A' ' 25' ' ' LEU . 6.6 mt -129.94 142.52 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.6 45.0 1.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -0.91 . . . . 0.0 110.199 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.413 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -155.87 133.41 3.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -73.45 -49.62 25.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -1.186 . . . . 0.0 110.196 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.91 -38.8 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.992 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -81.09 -49.28 11.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.363 -0.836 . . . . 0.0 109.827 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' B' ' 16' ' ' GLU . 10.4 t80 -47.34 -46.49 25.59 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 109.775 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.4 mt-10 -45.51 -38.22 6.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 17.7 mt-30 -67.7 -47.13 70.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.698 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 25' ' ' LEU . 95.3 m-85 -72.59 -53.67 11.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 7.7 ttp180 -47.26 -65.52 0.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.676 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -48.48 -41.61 30.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 4.0 tpt180 -60.5 -42.82 97.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.382 -0.824 . . . . 0.0 109.539 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 18.1 t-20 -51.24 -50.71 58.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 109.415 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.41 -52.02 56.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.31 -33.56 42.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.86 HD21 ' HG3' ' A' ' 14' ' ' ARG . 1.6 tt -56.76 -57.79 10.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.484 -0.76 . . . . 0.0 109.473 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.42 -35.4 8.4 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.418 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -81.26 -44.46 17.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 0.0 109.739 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 6.0 tppt? -65.55 -35.58 81.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.343 -0.848 . . . . 0.0 109.938 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -50.28 40.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.7 -14.85 63.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.272 -0.892 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 3.0 mt-30 -80.91 -69.01 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.97 61.12 3.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.239 -0.913 . . . . 0.0 110.185 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.56 -61.74 4.02 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.243 -1.151 . . . . 0.0 110.237 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.278 0.561 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.26 144.35 9.08 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.64 29.56 5.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.293 -1.122 . . . . 0.0 110.175 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CZ ' ' HB3' ' B' ' 10' ' ' ARG . 0.7 OUTLIER -147.89 161.92 40.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.913 . . . . 0.0 110.279 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.18 117.47 17.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.035 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -123.83 136.78 54.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.848 HD22 ' ND2' ' B' ' 22' ' ' ASN . 4.6 mt -122.4 156.82 33.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.931 . . . . 0.0 110.164 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -119.95 131.58 55.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.245 -0.909 . . . . 0.0 110.282 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' B' ' 4' ' ' TYR . 4.3 mt -125.34 149.4 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.264 -0.898 . . . . 0.0 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -124.91 44.82 2.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.237 -0.914 . . . . 0.0 110.306 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.91 105.48 0.26 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -46.71 -51.86 15.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -1.166 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.04 -35.85 7.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 47.7 mtm180 -83.16 -53.51 5.73 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 0.0 109.159 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 16' ' ' GLU . 39.0 t80 -47.33 -46.62 25.58 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.731 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' PHE . 11.1 mt-10 -44.27 -40.4 5.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.39 -0.819 . . . . 0.0 109.507 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.9 mm-40 -66.65 -43.96 83.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.301 -0.874 . . . . 0.0 109.482 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 98.7 m-85 -69.75 -54.8 12.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -0.9 . . . . 0.0 109.886 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -58.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.0 109.668 179.605 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -41.6 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -0.879 . . . . 0.0 109.581 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.63 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -68.77 -46.14 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.78 ' ND2' HD22 ' B' ' 7' ' ' LEU . 5.6 t-20 -43.33 -42.02 4.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.607 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -80.54 -48.21 13.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.12 97.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 4.3 mm? -63.55 -49.21 74.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.824 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.7 tm-20 -44.93 -46.25 10.87 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.588 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' OE1' ' A' ' 31' ' ' GLN . 5.3 tt -69.85 -31.89 69.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.71 -37.57 87.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 109.902 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB2' ' HD3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -71.42 -47.43 55.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.137 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.7 -10.04 24.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.931 . . . . 0.0 110.184 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.44 ' OE1' HD23 ' A' ' 27' ' ' LEU . 3.1 mt-30 -100.88 -27.05 13.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.864 . . . . 0.0 110.054 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.97 -4.16 22.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 110.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.25 -179.5 27.01 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.207 -1.173 . . . . 0.0 110.22 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.276 0.56 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.09 144.32 9.08 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 29.43 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -1.138 . . . . 0.0 110.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -147.83 161.89 40.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.232 -0.918 . . . . 0.0 110.311 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -133.14 117.51 17.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -123.94 136.72 54.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.934 . . . . 0.0 110.263 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.78 HD22 ' ND2' ' A' ' 22' ' ' ASN . 4.7 mt -122.29 157.14 32.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -120.19 131.77 55.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 4.3 mt -125.49 149.48 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.252 -0.905 . . . . 0.0 110.222 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.01 44.78 2.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.243 -0.911 . . . . 0.0 110.272 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.82 105.45 0.26 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -52.98 12.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -1.13 . . . . 0.0 110.147 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -45.44 -38.54 6.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.942 . . . . 0.0 109.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.469 ' HA ' HD12 ' A' ' 25' ' ' LEU . 46.9 mtm180 -80.49 -55.07 5.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.573 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' B' ' 16' ' ' GLU . 38.2 t80 -46.28 -46.44 17.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.881 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 11.0 mt-10 -44.1 -40.04 4.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 109.574 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 5.0 mm-40 -67.05 -43.27 83.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.654 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 98.5 m-85 -70.26 -54.45 12.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.0 109.786 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.81 -57.87 3.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.639 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.92 -41.55 62.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.58 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.605 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -68.94 -45.83 69.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 109.663 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.848 ' ND2' HD22 ' A' ' 7' ' ' LEU . 5.6 t-20 -43.54 -41.83 4.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.61 -48.62 12.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.4 96.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 4.3 mm? -63.11 -49.57 73.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.826 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' B' ' 25' ' ' LEU . 1.7 tm-20 -44.63 -45.98 9.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.689 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.434 HD23 ' OE1' ' B' ' 31' ' ' GLN . 5.5 tt -70.37 -31.6 68.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.861 . . . . 0.0 109.777 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.99 -37.19 86.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.364 -0.835 . . . . 0.0 109.912 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.444 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -71.78 -47.38 53.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.121 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -10.33 27.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.896 . . . . 0.0 110.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.434 ' OE1' HD23 ' B' ' 27' ' ' LEU . 3.2 mt-30 -100.46 -27.14 13.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 110.037 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.77 -4.25 22.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.132 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.31 -179.33 26.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.224 -1.162 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.302 0.572 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.33 140.62 3.0 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.26 62.05 1.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.303 -1.116 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' B' ' 10' ' ' ARG . 38.9 p90 -154.04 177.45 11.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.29 178.43 5.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.31 134.27 14.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.2 tp -118.89 134.64 55.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.886 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.14 115.91 25.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 0.0 110.211 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.505 HD11 ' CD2' ' A' ' 7' ' ' LEU . 3.1 mp -119.05 128.69 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -95.3 40.65 1.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.0 110.216 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -157.6 124.05 1.36 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -66.48 -41.74 88.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -1.155 . . . . 0.0 110.208 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HB3' ' OD1' ' B' ' 29' ' ' ASP . 0.9 OUTLIER -47.02 -44.63 20.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.189 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HA ' HD12 ' B' ' 25' ' ' LEU . 21.0 mtp180 -83.24 -40.56 19.45 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.278 -0.889 . . . . 0.0 109.76 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLU . 51.4 t80 -60.68 -51.78 67.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.402 -0.811 . . . . 0.0 110.166 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' A' ' 12' ' ' ARG . 4.7 mm-40 -42.99 -40.06 2.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 0.0 109.562 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 4.6 mm-40 -65.2 -45.61 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.485 -0.759 . . . . 0.0 109.764 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 17.1 m-30 -69.94 -55.28 10.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.111 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' PHE . 4.6 ttt180 -41.18 -67.54 0.24 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.221 -0.924 . . . . 0.0 110.206 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.9 -43.97 29.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -62.21 -44.7 95.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CG ' HD11 ' B' ' 7' ' ' LEU . 23.7 t30 -44.15 -49.57 8.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.276 -0.89 . . . . 0.0 109.571 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.63 -51.04 70.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.306 -0.871 . . . . 0.0 109.867 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.13 -53.86 50.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 109.756 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 3.1 mm? -52.0 -44.84 64.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.674 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -45.95 -54.18 8.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.898 . . . . 0.0 109.457 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.63 -38.52 77.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 109.905 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.2 tppt? -47.52 -55.98 8.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 109.903 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -47.57 83.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.88 . . . . 0.0 110.127 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.69 14.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.329 -0.857 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.35 -61.95 1.5 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 0.0 110.318 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.45 47.6 1.13 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.265 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.99 8.5 42.39 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.18 -1.188 . . . . 0.0 110.209 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.28 0.562 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.34 140.76 3.04 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.41 61.92 1.63 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -1.12 . . . . 0.0 110.245 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 10' ' ' ARG . 39.0 p90 -153.85 177.52 10.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -126.39 178.19 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.17 133.49 14.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.511 ' CD2' HD11 ' B' ' 9' ' ' ILE . 21.1 tp -117.93 134.96 54.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.2 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -119.45 115.93 25.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 0.0 110.166 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.511 HD11 ' CD2' ' B' ' 7' ' ' LEU . 3.1 mp -119.16 128.79 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.897 . . . . 0.0 110.216 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -95.48 40.77 1.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.42 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -157.67 124.19 1.38 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.474 ' HG3' ' HG2' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -66.64 -41.62 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -1.138 . . . . 0.0 110.177 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -44.93 20.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.0 110.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 20.3 mtp180 -83.09 -40.31 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 110.027 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.4 t80 -60.97 -51.29 69.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 110.102 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.474 ' HG2' ' HG3' ' B' ' 12' ' ' ARG . 4.7 mm-40 -43.67 -37.63 2.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 109.735 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 4.6 mm-40 -68.08 -43.43 78.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.846 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 17.5 m-30 -72.4 -52.92 13.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.013 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' B' ' 18' ' ' PHE . 4.6 ttt180 -43.1 -67.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.0 109.907 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -47.59 -43.82 25.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.615 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -62.14 -44.29 96.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.354 -0.841 . . . . 0.0 109.745 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 23.5 t30 -44.56 -49.17 10.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.686 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -62.21 -50.8 70.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.321 -0.862 . . . . 0.0 109.645 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.14 47.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.781 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.1 mm? -51.81 -44.29 63.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -0.848 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.53 -53.16 11.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.196 -0.94 . . . . 0.0 109.679 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 27' ' ' LEU . 0.3 OUTLIER -70.7 -38.05 73.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.802 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.506 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.3 tppt? -47.81 -55.47 9.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 109.825 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.96 -47.28 83.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.311 -0.868 . . . . 0.0 110.158 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.97 -26.71 16.08 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -92.23 -61.77 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.273 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.73 47.67 1.12 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.213 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.12 8.53 41.99 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.234 -1.156 . . . . 0.0 110.184 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.234 0.54 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.17 166.51 15.03 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -128.74 -41.45 1.49 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -1.147 . . . . 0.0 110.208 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 24.7 p90 -140.55 -174.02 3.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' B' ' 12' ' ' ARG . 25.8 m-85 -123.41 163.85 20.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 16.5 m -150.72 128.08 11.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.38 162.77 19.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 0.0 110.401 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -129.79 132.7 46.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.023 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 11' ' ' GLY . 2.6 mp -119.27 156.75 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.956 . . . . 0.0 110.371 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -134.31 34.07 3.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.589 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -154.03 129.85 2.76 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HD2' ' CZ ' ' B' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -55.76 14.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -1.144 . . . . 0.0 110.214 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 21.7 tt0 -44.31 -40.94 5.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 110.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.771 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.02 -45.31 14.21 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.567 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 45.9 t80 -51.78 -47.65 64.1 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.393 -0.817 . . . . 0.0 109.659 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 9.5 mt-10 -44.79 -38.01 4.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.292 -0.88 . . . . 0.0 109.336 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.83 -46.32 75.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.808 . . . . 0.0 109.601 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.3 m-85 -67.51 -58.86 3.97 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.906 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.4 tpt180 -43.48 -61.53 1.35 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.823 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -45.77 -49.05 15.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 3.6 mpt_? -57.01 -41.38 78.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 109.636 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 6.9 t-20 -50.46 -51.38 47.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.738 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.12 -44.41 74.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.265 -0.897 . . . . 0.0 109.49 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -62.89 -37.11 85.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.833 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' B' ' 14' ' ' ARG . 4.6 tt -57.41 -48.2 79.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.914 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.641 ' N ' HD23 ' A' ' 25' ' ' LEU . 10.4 mt-10 -57.38 -55.22 37.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.83 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.58 -24.66 64.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 109.832 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.65 ' HD2' ' HB3' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -77.34 -31.2 54.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.341 -0.849 . . . . 0.0 109.91 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.29 -48.56 33.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 110.124 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.43 -12.18 29.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -58.05 1.98 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.18 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.65 ' HB3' ' HD2' ' A' ' 28' ' ' LYS . . . -111.8 68.95 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.246 -0.909 . . . . 0.0 110.175 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.02 -121.01 2.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.27 -1.135 . . . . 0.0 110.231 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.256 0.55 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.21 166.5 15.04 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -128.69 -41.4 1.5 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.173 -1.192 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 24.8 p90 -140.54 -173.98 3.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.3 -0.875 . . . . 0.0 110.209 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 25.9 m-85 -123.53 164.12 19.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 110.164 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 m -151.21 128.33 11.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 109.971 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.53 163.01 19.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 110.437 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 5.1 mt-30 -129.98 132.25 46.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.583 HG22 ' H ' ' B' ' 11' ' ' GLY . 2.6 mp -118.9 156.81 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -134.37 34.23 3.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.301 -0.874 . . . . 0.0 110.185 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.583 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -154.17 129.93 2.77 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -56.38 11.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.265 -1.138 . . . . 0.0 110.205 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' B' ' 14' ' ' ARG . 21.6 tt0 -43.43 -42.11 4.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.733 ' HB3' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -81.89 -46.17 14.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 0.0 109.766 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' GLU . 44.2 t80 -51.1 -47.71 61.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.703 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 9.5 mt-10 -44.4 -38.04 3.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' B' ' 21' ' ' ARG . 2.2 tm0? -67.04 -45.9 76.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.444 -0.785 . . . . 0.0 109.609 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.3 m-85 -68.1 -58.17 4.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 109.864 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.3 tpt180 -44.25 -61.44 1.5 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 109.717 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -45.92 -48.59 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.852 . . . . 0.0 109.62 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.591 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.6 mpt_? -57.55 -41.18 80.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.64 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 6.9 t-20 -50.36 -51.23 47.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.783 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.43 -43.63 75.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.584 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' B' ' 28' ' ' LYS . . . -63.84 -36.72 84.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.672 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' A' ' 14' ' ' ARG . 4.5 tt -57.56 -48.05 80.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.317 -0.865 . . . . 0.0 109.845 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.641 ' N ' HD23 ' B' ' 25' ' ' LEU . 10.4 mt-10 -57.56 -55.43 34.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.0 109.77 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.33 -24.87 64.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.819 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.647 ' HD2' ' HB3' ' B' ' 32' ' ' ALA . 0.3 OUTLIER -77.19 -31.15 55.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.355 -0.841 . . . . 0.0 109.841 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.52 -48.23 34.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.088 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.79 -12.38 35.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.156 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.35 -58.1 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.874 . . . . 0.0 110.111 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.647 ' HB3' ' HD2' ' B' ' 28' ' ' LYS . . . -111.78 69.07 0.68 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.118 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.13 -121.1 2.64 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.237 -1.155 . . . . 0.0 110.215 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 15.8 p30 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.286 0.565 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.95 -22.76 4.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -139.33 118.85 12.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.234 -1.157 . . . . 0.0 110.222 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 16.0 p90 -156.37 173.0 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.177 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 27.5 m-85 -120.89 169.49 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.112 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 0.8 OUTLIER -143.62 138.18 28.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.0 110.371 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -118.78 155.27 31.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.558 ' O ' HD13 ' A' ' 9' ' ' ILE . 6.3 mt-30 -136.28 130.94 33.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.277 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.558 HD13 ' O ' ' A' ' 8' ' ' GLN . 19.7 mm -119.67 145.6 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.167 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -108.04 -14.22 14.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.244 -0.91 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.15 150.65 17.49 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.28 -46.91 19.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -1.145 . . . . 0.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.03 -40.76 5.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.866 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' CB ' HD12 ' B' ' 25' ' ' LEU . 3.6 mtp180 -82.9 -44.46 15.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.205 -0.935 . . . . 0.0 109.359 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 89.9 t80 -57.15 -47.17 81.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.422 -0.799 . . . . 0.0 109.808 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' PHE . 4.4 mm-40 -44.99 -32.78 1.77 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.536 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 69.6 mm-40 -74.28 -50.08 20.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 109.732 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 94.1 m-85 -62.21 -53.49 54.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -50.18 -66.17 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.888 . . . . 0.0 109.688 179.381 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.32 -40.44 17.07 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.925 . . . . 0.0 109.563 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.8 OUTLIER -68.36 -41.68 80.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 109.599 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.45 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 28.2 t-20 -46.92 -48.18 21.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.332 -0.855 . . . . 0.0 109.505 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -68.24 -41.74 80.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.0 109.698 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -56.88 7.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.322 -0.861 . . . . 0.0 109.714 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -54.42 -36.17 63.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 0.0 109.635 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 53.5 tt0 -55.56 -49.52 72.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.274 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.1 tt -74.78 -25.16 58.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.35 -0.844 . . . . 0.0 109.804 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 5.8 tptt -58.82 -47.04 86.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.035 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -79.04 -34.52 43.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.47 -12.42 60.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.259 -0.901 . . . . 0.0 110.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.04 -36.83 8.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 110.245 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.43 26.69 5.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.249 -0.907 . . . . 0.0 110.252 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASP . . . -122.83 -123.63 2.88 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.254 -1.145 . . . . 0.0 110.169 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 p30 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.239 0.542 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.1 -22.54 4.23 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -139.55 118.74 12.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -1.157 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 15.8 p90 -156.3 172.81 17.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 110.189 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 27.0 m-85 -120.75 169.56 10.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 0.0 110.078 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.75 137.31 28.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.388 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.468 HD23 HD11 ' B' ' 9' ' ' ILE . 0.3 OUTLIER -117.76 155.62 29.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 109.933 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.559 ' O ' HD13 ' B' ' 9' ' ' ILE . 6.0 mt-30 -136.38 131.03 33.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.559 HD13 ' O ' ' B' ' 8' ' ' GLN . 19.4 mm -119.83 145.62 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.216 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -107.75 -15.44 14.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.208 -0.933 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.71 17.89 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' B' ' 13' ' ' GLU . 14.5 ttt180 -78.22 -47.33 18.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -1.125 . . . . 0.0 110.235 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . 36.6 tt0 -43.23 -42.83 4.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 110.049 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 3.6 mtp180 -80.79 -45.76 16.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.831 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 5' ' ' PHE . 89.8 t80 -56.09 -47.21 78.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -0.839 . . . . 0.0 109.865 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 15' ' ' PHE . 4.3 mm-40 -44.69 -33.0 1.68 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.628 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 69.5 mm-40 -74.15 -50.97 17.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.829 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.4 m-85 -61.93 -52.5 63.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.703 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -51.16 -65.48 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.85 -40.03 20.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.451 ' HG2' ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -68.69 -41.14 79.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.337 -0.852 . . . . 0.0 109.583 179.453 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 28.3 t-20 -47.22 -48.17 24.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.867 . . . . 0.0 109.559 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.35 -41.65 80.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.399 -0.813 . . . . 0.0 109.688 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.08 -56.68 7.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.69 -35.9 64.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.709 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 53.5 tt0 -55.59 -48.68 74.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.396 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.1 tt -75.73 -25.09 56.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 0.0 109.696 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 5.6 tptt -58.74 -46.94 86.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.313 -0.867 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' B' ' 33' ' ' GLY . 0.1 OUTLIER -79.31 -34.26 42.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.58 60.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -101.86 -36.84 8.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.5 26.72 5.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' ASP . . . -122.76 -123.92 2.91 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.231 -1.158 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.22 0.533 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.0 -38.08 0.05 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -118.38 10.79 12.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -1.192 . . . . 0.0 110.301 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 140.77 26.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.929 . . . . 0.0 110.362 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 41.4 m-85 -128.07 121.9 30.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.906 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.422 ' OG1' ' OE1' ' B' ' 8' ' ' GLN . 19.8 m -118.67 143.92 46.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.127 -0.983 . . . . 0.0 110.386 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 6' ' ' THR . 5.8 mt -122.93 156.74 34.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.852 . . . . 0.0 110.209 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -122.39 141.22 51.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 110.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.855 HG23 HD11 ' B' ' 25' ' ' LEU . 3.3 mt -134.67 149.43 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 24.84 8.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.359 -0.838 . . . . 0.0 110.028 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.689 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -140.14 124.65 2.72 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.72 -48.34 64.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -1.137 . . . . 0.0 110.345 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -36.31 46.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.238 -0.914 . . . . 0.0 110.455 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.07 -38.09 22.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.261 -0.899 . . . . 0.0 109.589 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' B' ' 5' ' ' PHE . 65.6 t80 -52.64 -48.18 66.57 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.324 -0.86 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.1 mt-10 -44.4 -34.67 2.1 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.349 -0.845 . . . . 0.0 109.282 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -70.2 -51.65 29.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.806 . . . . 0.0 109.958 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' B' ' 21' ' ' ARG . 78.6 m-85 -59.14 -59.45 5.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 109.986 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.8 tpt180 -43.18 -52.27 5.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 0.0 109.84 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.27 -55.71 4.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.413 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.636 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -53.51 -42.32 67.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.349 179.229 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ARG . 8.5 t30 -43.88 -54.26 5.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.334 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.04 -49.9 70.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.398 -0.814 . . . . 0.0 109.363 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' N ' ' OE1' ' A' ' 23' ' ' GLU . . . -61.94 -42.35 99.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.633 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.892 HD11 HG23 ' B' ' 9' ' ' ILE . 6.0 tt -51.72 -42.71 62.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 0.0 109.619 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' N ' HD23 ' A' ' 25' ' ' LEU . 37.0 tp10 -60.26 -53.69 54.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 0.0 109.575 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -64.96 -27.45 68.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.852 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 6.3 tptt -66.4 -32.88 74.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.69 -29.64 32.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.28 0.69 24.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.615 ' OE1' ' HB2' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -139.31 165.1 28.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.0 110.299 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.615 ' HB2' ' OE1' ' A' ' 31' ' ' GLN . . . 53.42 -89.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.188 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 100.36 -33.5 6.29 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.244 -1.151 . . . . 0.0 110.15 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.286 0.565 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.91 -38.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -118.06 10.61 13.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -1.177 . . . . 0.0 110.384 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 140.96 26.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.547 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 40.2 m-85 -128.33 121.16 28.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.974 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 7' ' ' LEU . 19.4 m -117.89 144.05 45.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.917 . . . . 0.0 110.366 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 18' ' ' PHE . 5.6 mt -123.14 156.75 34.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.301 -0.874 . . . . 0.0 110.219 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.422 ' OE1' ' OG1' ' A' ' 6' ' ' THR . 4.4 mt-30 -122.34 140.98 52.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 25' ' ' LEU . 3.3 mt -134.61 149.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 24.87 8.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLY . . . . . 0.683 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -139.87 124.7 2.77 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.78 -48.76 62.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.236 -1.155 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.84 -38.2 47.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -39.24 26.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.995 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 63.8 t80 -51.35 -48.51 62.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.958 . . . . 0.0 109.634 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.1 mt-10 -43.93 -34.75 1.76 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.358 -0.839 . . . . 0.0 109.52 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.41 -51.0 32.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.915 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 79.1 m-85 -60.43 -57.98 10.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 0.0 109.905 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 tpt180 -44.39 -51.69 8.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.667 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -44.59 -55.35 5.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -0.89 . . . . 0.0 109.499 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -53.71 -42.02 67.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.859 . . . . 0.0 109.364 179.287 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' B' ' 21' ' ' ARG . 1.9 t-20 -44.25 -54.13 5.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 109.333 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -55.33 -48.45 74.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 0.0 109.506 179.306 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.414 ' N ' ' OE1' ' B' ' 23' ' ' GLU . . . -63.4 -42.06 98.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.611 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.855 HD11 HG23 ' A' ' 9' ' ' ILE . 5.9 tt -51.84 -42.38 62.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.27 -0.894 . . . . 0.0 109.596 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.454 ' N ' HD23 ' B' ' 25' ' ' LEU . 37.3 tp10 -60.35 -53.28 59.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.318 -0.864 . . . . 0.0 109.696 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -65.53 -27.79 68.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 179.519 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HD2' ' B' ' 28' ' ' LYS . 6.0 tptt -65.8 -32.87 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.391 -0.818 . . . . 0.0 110.072 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.2 -28.7 31.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.231 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.24 0.6 27.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 110.224 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.618 ' OE1' ' HB2' ' B' ' 32' ' ' ALA . 0.6 OUTLIER -139.27 165.0 28.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 110.243 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.618 ' HB2' ' OE1' ' B' ' 31' ' ' GLN . . . 53.53 -89.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.49 -33.5 6.31 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tttt . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.283 -1.128 . . . . 0.0 110.161 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.74 -138.06 2.39 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -143.28 0.18 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.15 . . . . 0.0 110.184 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 31.9 p90 -146.38 -171.37 3.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' CZ ' ' HD3' ' B' ' 12' ' ' ARG . 61.0 m-85 -133.04 170.22 15.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.217 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.485 HG23 ' O ' ' B' ' 7' ' ' LEU . 14.0 m -159.06 158.07 32.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.494 HD11 ' HD2' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -138.25 152.41 48.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.091 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.69 130.34 52.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 110.338 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 15' ' ' PHE . 2.7 mp -125.8 165.84 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.896 . . . . 0.0 109.992 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.7 ttt180 -125.38 -31.22 3.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.955 . . . . 0.0 110.504 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.35 125.74 8.64 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -72.36 -17.67 61.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.256 -1.143 . . . . 0.0 110.395 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -53.31 59.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 0.0 110.414 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.879 ' CB ' HD12 ' B' ' 25' ' ' LEU . 33.8 ptt180 -82.62 -34.11 27.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.71 ' HB2' HG21 ' A' ' 9' ' ' ILE . 6.2 t80 -56.9 -48.95 77.02 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.029 -1.045 . . . . 0.0 109.284 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.29 -40.53 25.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.379 -0.826 . . . . 0.0 109.202 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.1 mp0 -58.93 -42.75 90.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.419 -0.801 . . . . 0.0 109.293 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.54 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 21.7 m-30 -68.64 -54.26 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.39 -0.819 . . . . 0.0 109.97 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' B' ' 7' ' ' LEU . 5.2 tpt180 -42.87 -65.08 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.09 -35.91 27.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.382 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.89 -48.27 66.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.0 109.643 179.438 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 33.8 t30 -44.58 -48.42 10.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 109.694 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.15 -49.24 78.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.954 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -58.3 7.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.862 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.873 HD12 ' CB ' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -60.01 -36.87 78.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 28.8 tt0 -50.01 -48.98 52.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.533 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 3.7 mt -68.79 -30.08 68.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 0.0 109.88 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.74 -33.81 76.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.033 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' OD2' ' HB3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -82.22 -46.57 13.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.21 33.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.896 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.69 -1.16 28.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.325 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' GLY . . . 48.97 50.84 17.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -44.21 -28.8 1.46 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.274 -1.133 . . . . 0.0 110.216 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.269 0.557 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.97 -138.02 2.38 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.54 -143.31 0.18 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -1.147 . . . . 0.0 110.209 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -146.38 -171.41 3.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.298 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 61.4 m-85 -132.95 170.45 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.893 . . . . 0.0 110.161 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 7' ' ' LEU . 13.4 m -159.29 158.07 31.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.199 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.24 152.21 48.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.51 130.1 52.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.0 110.375 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.713 HG21 ' HB2' ' B' ' 15' ' ' PHE . 2.7 mp -125.68 164.98 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.459 ' N ' HG22 ' B' ' 9' ' ' ILE . 1.7 ttt180 -124.02 -32.75 3.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.76 125.88 8.63 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -71.88 -18.42 62.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -1.146 . . . . 0.0 110.286 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -54.25 49.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 110.126 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.873 ' CB ' HD12 ' A' ' 25' ' ' LEU . 33.8 ptt180 -81.6 -34.61 30.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 110.081 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.713 ' HB2' HG21 ' B' ' 9' ' ' ILE . 6.7 t80 -56.51 -49.16 75.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.032 -1.042 . . . . 0.0 109.42 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.82 -40.65 21.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 109.305 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.1 mp0 -59.41 -41.76 90.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.403 -0.811 . . . . 0.0 109.46 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 22.2 m-30 -69.56 -53.01 21.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.494 ' HD2' HD11 ' A' ' 7' ' ' LEU . 5.2 tpt180 -44.0 -65.05 0.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.23 -0.919 . . . . 0.0 109.573 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -50.09 -35.71 26.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.909 . . . . 0.0 109.432 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.671 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 33.3 t30 -44.47 -48.58 10.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.34 -0.85 . . . . 0.0 109.752 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.21 -49.28 77.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.02 8.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.879 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -60.36 -36.69 78.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' B' ' 22' ' ' ASN . 28.6 tt0 -50.09 -48.41 53.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.177 -0.952 . . . . 0.0 109.602 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 3.7 mt -69.35 -29.87 67.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.837 . . . . 0.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.96 -33.03 74.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.373 -0.83 . . . . 0.0 109.962 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.21 -46.48 12.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.69 -17.26 33.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -103.64 -1.23 28.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.125 -0.984 . . . . 0.0 110.33 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' B' ' 33' ' ' GLY . . . 49.02 50.96 17.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 0.0 110.228 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' B' ' 32' ' ' ALA . . . -44.28 -29.0 1.55 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.232 -1.158 . . . . 0.0 110.247 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 3' ' ' GLU . . . -121.89 130.62 8.12 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 1.7 tt0 -178.9 -177.65 0.5 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -1.156 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 35.1 p90 -143.24 177.65 8.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 110.206 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' B' ' 12' ' ' ARG . 69.8 m-85 -127.77 145.7 50.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.274 -0.891 . . . . 0.0 110.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 1.8 t -124.18 138.33 54.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 0.0 110.193 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' B' ' 19' ' ' ARG . 0.6 OUTLIER -131.28 130.13 42.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -121.18 135.54 55.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.873 . . . . 0.0 110.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 10' ' ' ARG . 3.5 mt -131.14 171.43 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' HG22 ' A' ' 9' ' ' ILE . 3.8 ttt180 -124.34 84.14 2.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 0.0 110.162 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 135.4 2.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 3.5 ttt180 -87.19 -12.42 46.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -1.148 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.57 -55.78 24.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.43 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HB2' HD12 ' B' ' 25' ' ' LEU . 1.7 ptp180 -82.67 -33.74 27.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.59 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 12' ' ' ARG . 52.6 t80 -61.03 -56.63 18.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.294 -0.879 . . . . 0.0 110.069 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -43.19 -27.82 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 109.578 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -73.42 -46.69 47.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.391 -0.818 . . . . 0.0 109.445 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' B' ' 22' ' ' ASN . 17.8 m-85 -70.92 -44.38 66.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.839 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 11.0 tpt180 -49.38 -60.55 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.19 -0.944 . . . . 0.0 109.939 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -46.09 72.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.868 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' GLN . 3.9 mmt180 -63.86 -45.49 89.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 0.0 109.958 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' HA ' ' CE2' ' B' ' 18' ' ' PHE . 18.9 t30 -43.3 -53.29 5.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.833 . . . . 0.0 109.59 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.31 -53.29 59.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.21 82.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 0.0 109.561 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' B' ' 14' ' ' ARG . 0.5 OUTLIER -66.8 -40.09 87.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.838 . . . . 0.0 109.618 179.369 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.83 -49.96 14.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -38.79 83.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' CD ' ' HA3' ' A' ' 33' ' ' GLY . 14.4 tppt? -52.13 -32.05 33.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.047 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.4 -42.41 18.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.0 5.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 30.9 mt-30 -108.76 26.52 10.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.899 . . . . 0.0 110.334 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 34' ' ' LYS . . . 56.75 49.85 13.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.924 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.544 ' HA3' ' CD ' ' A' ' 28' ' ' LYS . . . -65.72 69.21 0.12 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.228 -1.16 . . . . 0.0 110.204 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.232 0.539 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' B' ' 3' ' ' GLU . . . -122.0 130.59 8.09 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 2' ' ' GLY . 1.8 tt0 -178.77 -177.26 0.5 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -1.141 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 35.2 p90 -143.49 177.85 8.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 12' ' ' ARG . 70.1 m-85 -128.04 145.43 50.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.0 110.194 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -123.95 138.27 54.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.21 130.03 42.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.276 -0.89 . . . . 0.0 110.24 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 6.1 mt-30 -121.0 135.53 55.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.089 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.596 HG22 ' N ' ' B' ' 10' ' ' ARG . 3.5 mt -131.11 171.57 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.596 ' N ' HG22 ' B' ' 9' ' ' ILE . 3.8 ttt180 -124.54 84.1 2.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.891 . . . . 0.0 110.154 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.62 135.73 2.5 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.4 ttt180 -87.4 -12.88 44.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -1.128 . . . . 0.0 110.191 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -57.41 11.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.655 ' HB2' HD12 ' A' ' 25' ' ' LEU . 1.9 ptp180 -81.25 -33.28 32.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 109.981 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 12' ' ' ARG . 53.3 t80 -61.68 -55.81 26.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.24 -0.912 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' B' ' 17' ' ' GLN . 0.0 OUTLIER -43.69 -26.29 0.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 109.761 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -75.34 -45.59 38.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -0.884 . . . . 0.0 109.517 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 22' ' ' ASN . 19.2 m-85 -72.5 -42.76 64.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.774 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 11.2 tpt180 -50.57 -59.64 3.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.755 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -45.59 74.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 0.0 109.747 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' B' ' 17' ' ' GLN . 3.8 mmt180 -64.32 -45.53 87.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.525 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 19.3 t30 -42.94 -53.49 4.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.825 . . . . 0.0 109.678 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.36 -52.35 65.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.481 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.94 86.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.477 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -67.06 -39.61 86.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.372 -0.83 . . . . 0.0 109.596 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.35 -48.97 18.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.207 -0.933 . . . . 0.0 109.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -38.26 78.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.321 -0.862 . . . . 0.0 109.739 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.528 ' CD ' ' HA3' ' B' ' 33' ' ' GLY . 14.5 tppt? -52.59 -31.01 34.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.85 -42.06 16.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 110.157 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -20.65 6.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' B' ' 32' ' ' ALA . 30.8 mt-30 -108.89 26.46 10.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.19 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 34' ' ' LYS . . . 56.69 49.93 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.255 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.528 ' HA3' ' CD ' ' B' ' 28' ' ' LYS . . . -65.78 69.12 0.12 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 32' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.315 -1.109 . . . . 0.0 110.215 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 50.8 p90 . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.27 0.557 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 4' ' ' TYR . 23.0 m-85 -145.36 170.17 16.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.067 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.4 t -152.0 137.9 18.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.156 -0.965 . . . . 0.0 110.478 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.64 144.41 48.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.438 ' C ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -127.11 143.57 51.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.0 110.413 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.853 HG22 ' H ' ' A' ' 11' ' ' GLY . 4.1 mp -140.62 145.6 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 110.146 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.22 20.68 18.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 0.0 110.166 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.853 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -127.74 130.37 6.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -76.66 -34.2 58.28 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -1.175 . . . . 0.0 110.34 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.24 -35.19 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.893 . . . . 0.0 110.545 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.463 ' CD ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -83.17 -44.98 14.45 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.588 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 19' ' ' ARG . 82.9 t80 -48.5 -51.89 25.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.459 -0.776 . . . . 0.0 110.04 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.6 mm-40 -43.69 -37.35 2.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.644 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.645 ' OE1' HD21 ' B' ' 25' ' ' LEU . 2.7 mm-40 -68.32 -51.06 48.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -0.805 . . . . 0.0 110.134 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 95.6 m-85 -65.5 -58.15 6.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 9.1 tpt180 -42.92 -65.28 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.141 -0.974 . . . . 0.0 109.919 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.61 -43.56 46.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -64.47 -42.16 96.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.572 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 50.4 t30 -45.89 -45.3 15.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.349 -0.845 . . . . 0.0 109.451 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.58 -46.06 77.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.469 -0.77 . . . . 0.0 109.815 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.26 19.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 109.966 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.516 HD21 ' OE1' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -59.45 -39.62 84.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 0.0 109.79 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 64.4 tt0 -51.38 -39.66 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.482 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.26 -34.35 63.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.086 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 7.0 tptt -52.76 -51.95 58.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -76.33 -57.14 4.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.23 -26.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.262 -0.899 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 110.237 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' B' ' 5' ' ' PHE . 50.9 p90 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.296 0.57 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' B' ' 4' ' ' TYR . 23.2 m-85 -145.38 170.23 16.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.925 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 t -151.99 138.04 18.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.98 . . . . 0.0 110.433 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.81 144.3 48.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.285 -0.885 . . . . 0.0 109.957 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -126.96 143.47 51.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.154 -0.966 . . . . 0.0 110.461 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.838 HG22 ' H ' ' B' ' 11' ' ' GLY . 4.1 mp -140.62 145.21 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -107.81 20.66 18.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.838 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -127.47 130.06 6.66 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt-85 -76.56 -34.43 58.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -1.161 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.52 -36.07 77.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 110.197 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.471 ' CD ' ' HA3' ' B' ' 11' ' ' GLY . 0.0 OUTLIER -82.38 -45.61 14.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.928 . . . . 0.0 110.035 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CZ ' ' HD3' ' B' ' 19' ' ' ARG . 81.3 t80 -47.9 -52.43 19.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 15' ' ' PHE . 6.7 mm-40 -43.16 -37.39 2.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.757 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.516 ' OE1' HD21 ' A' ' 25' ' ' LEU . 2.8 mm-40 -68.62 -50.95 47.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.2 m-85 -66.17 -57.1 8.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.877 . . . . 0.0 110.239 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.521 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 9.2 tpt180 -43.75 -64.9 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.179 -0.95 . . . . 0.0 109.715 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.93 -43.48 49.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.459 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -64.12 -41.67 97.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 0.0 109.556 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 52.0 t30 -46.25 -44.4 16.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.314 -0.866 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.0 -44.85 75.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.3 17.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.833 . . . . 0.0 109.925 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.645 HD21 ' OE1' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -59.53 -39.54 84.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 64.5 tt0 -51.75 -37.75 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.3 mt -76.17 -33.79 59.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 109.938 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 6.7 tptt -52.99 -51.8 60.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.017 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' GLN . 0.2 OUTLIER -76.7 -56.84 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.897 . . . . 0.0 110.201 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.6 -27.22 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.299 -0.876 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' B' ' 29' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 10' ' ' ARG . 1.4 m-85 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.304 0.573 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 23.7 m-85 -119.48 154.65 33.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 4.8 m -148.07 155.49 41.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -140.34 149.18 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.879 . . . . 0.0 110.234 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.1 133.09 50.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.895 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.69 158.94 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.333 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -115.69 37.76 3.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.097 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.74 141.88 8.12 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' B' ' 5' ' ' PHE . 66.5 ttt180 -81.89 -30.97 31.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -1.149 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.69 -35.68 81.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 110.372 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HA ' HD12 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.25 -45.05 14.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.159 -0.963 . . . . 0.0 109.548 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' HD12 ' B' ' 7' ' ' LEU . 56.0 t80 -61.21 -49.4 77.3 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.362 -0.836 . . . . 0.0 110.034 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.8 mm-40 -43.28 -39.67 3.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 0.0 109.775 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -67.59 -45.8 74.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 14.1 m-30 -64.14 -51.0 65.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.279 -0.888 . . . . 0.0 110.143 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.1 ttt-85 -46.81 -63.54 1.0 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.72 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -49.03 -42.7 39.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.522 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.5 mtt180 -64.06 -44.77 91.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 0.0 109.693 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 1.8 t-20 -43.97 -46.84 8.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.28 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -53.1 60.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 109.512 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.13 -54.35 48.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.315 -0.865 . . . . 0.0 109.602 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' B' ' 14' ' ' ARG . 3.2 mm? -50.38 -45.47 55.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.323 -0.861 . . . . 0.0 109.553 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.24 -46.93 36.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.352 -0.842 . . . . 0.0 109.545 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.8 tp -73.18 -36.6 66.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.878 . . . . 0.0 109.976 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 10.6 tptp -50.68 -54.78 20.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -32.43 68.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 110.23 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.93 0.07 16.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.167 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 110.222 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' ARG . 1.3 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.197 0.522 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 23.3 m-85 -119.84 154.38 34.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.267 -0.896 . . . . 0.0 110.157 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.2 m -147.94 155.41 41.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.21 -0.931 . . . . 0.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -140.29 149.08 42.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.235 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 30.8 mt-30 -126.96 133.16 50.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.79 158.83 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -115.61 37.7 3.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.65 141.81 8.08 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 66.5 ttt180 -81.84 -31.64 31.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.179 -1.189 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.82 -36.56 84.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.173 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -82.59 -45.38 14.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 109.889 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 7' ' ' LEU . 55.9 t80 -61.17 -49.04 78.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.985 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.8 mm-40 -43.45 -38.65 2.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.421 ' O ' ' HD2' ' B' ' 21' ' ' ARG . 1.2 mm100 -68.86 -44.88 72.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 109.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 14.5 m-30 -65.47 -49.86 67.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.939 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 12.6 ttt-85 -47.54 -62.91 1.21 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.542 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -49.77 -42.21 46.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.917 . . . . 0.0 109.556 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.589 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.5 mtt180 -64.23 -44.81 90.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.381 -0.824 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 1.8 t-20 -43.64 -46.48 7.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 109.436 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -52.87 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 109.537 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -54.45 46.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 109.642 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.1 mm? -50.12 -45.55 52.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.66 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.48 -45.69 37.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.872 . . . . 0.0 109.672 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.7 tp -74.41 -36.68 63.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.791 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 10.4 tptp -50.51 -54.65 20.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.341 -0.849 . . . . 0.0 110.062 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -32.22 67.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.907 . . . . 0.0 110.177 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.11 17.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 33.3 p90 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.296 0.57 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.92 161.49 20.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.522 HG23 ' O ' ' B' ' 7' ' ' LEU . 3.4 m -140.35 162.72 34.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 110.18 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -139.15 153.03 47.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.312 -0.867 . . . . 0.0 110.1 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -127.99 124.34 36.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.726 HD11 HD23 ' A' ' 7' ' ' LEU . 2.7 mp -122.23 147.76 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 2.4 ptt180 -110.59 48.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 0.0 110.217 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.82 140.63 5.78 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' GLU . 3.9 ttp180 -79.25 -56.0 4.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -1.133 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -43.34 -38.21 2.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.181 -0.949 . . . . 0.0 110.276 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' HE ' HG23 ' A' ' 9' ' ' ILE . 14.0 ttp-105 -82.73 -44.79 15.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.227 -0.921 . . . . 0.0 109.191 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 15.8 t80 -60.06 -53.72 54.41 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.386 -0.821 . . . . 0.0 109.668 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.1 mm-40 -42.88 -39.7 2.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.814 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 10.7 mm-40 -61.88 -48.4 80.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.713 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.646 ' CZ ' HD12 ' B' ' 25' ' ' LEU . 18.5 m-85 -67.18 -50.89 59.42 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.206 -0.934 . . . . 0.0 109.95 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 ttt180 -43.89 -72.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 0.0 110.023 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ARG . 51.6 mt-10 -44.63 -51.36 9.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 8.3 tpt180 -55.71 -41.37 73.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.884 . . . . 0.0 109.509 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.608 ' ND2' HD21 ' B' ' 7' ' ' LEU . 26.4 t-20 -47.13 -49.2 22.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.0 109.473 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 26' ' ' GLU . 73.5 tt0 -59.44 -51.53 69.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 109.611 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.62 35.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.264 -0.897 . . . . 0.0 109.774 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.663 HD12 ' CZ ' ' B' ' 18' ' ' PHE . 2.1 mt -63.74 -29.84 71.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.867 . . . . 0.0 109.725 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 31.7 tt0 -52.72 -47.59 67.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.236 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -40.12 78.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.61 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -47.1 -52.38 15.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 179.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB2' ' NH1' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -67.41 -36.73 81.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 110.017 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.84 65.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 110.21 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 33.2 p90 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.27 0.557 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' ILE . 64.5 m-85 -118.5 161.77 19.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.906 . . . . 0.0 110.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 7' ' ' LEU . 3.2 m -140.83 162.76 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.722 HD23 HD11 ' B' ' 9' ' ' ILE . 0.6 OUTLIER -139.06 153.44 48.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 110.164 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.43 123.93 34.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 0.0 110.327 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.722 HD11 HD23 ' B' ' 7' ' ' LEU . 2.7 mp -122.02 147.6 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.127 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.402 ' HA ' ' HB2' ' A' ' 4' ' ' TYR . 2.4 ptt180 -110.4 49.11 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.229 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.79 140.58 5.76 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.0 ttp180 -79.37 -56.05 4.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -43.09 -40.28 3.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.516 ' HE ' HG23 ' B' ' 9' ' ' ILE . 13.8 ttp-105 -80.5 -44.97 18.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.0 109.626 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' B' ' 19' ' ' ARG . 15.1 t80 -60.56 -52.99 62.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.908 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.0 mm-40 -43.19 -39.19 2.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.373 -0.829 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 10.7 mm-40 -62.05 -48.35 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 0.0 109.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.663 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 20.2 m-85 -68.15 -49.4 61.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 109.856 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.493 ' HD2' ' CZ ' ' B' ' 15' ' ' PHE . 1.1 ttt180 -44.74 -72.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 109.701 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 19' ' ' ARG . 51.4 mt-10 -45.01 -51.24 10.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 8.1 tpt180 -55.71 -41.1 73.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.605 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.607 ' ND2' HD21 ' A' ' 7' ' ' LEU . 25.3 t-20 -47.08 -49.03 22.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.593 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 26' ' ' GLU . 73.2 tt0 -59.8 -50.88 72.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.375 -0.828 . . . . 0.0 109.626 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.96 47.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 109.782 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.646 HD12 ' CZ ' ' A' ' 18' ' ' PHE . 2.1 mt -64.34 -29.62 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.0 109.737 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' B' ' 23' ' ' GLU . 32.0 tt0 -53.05 -46.78 68.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.188 -0.945 . . . . 0.0 109.366 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -39.65 75.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.574 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.0 OUTLIER -47.3 -52.47 16.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.0 109.812 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.436 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -67.47 -36.5 81.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 110.086 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.72 65.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.053 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 p90 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.232 0.539 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.76 164.29 22.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 65.7 m -152.51 150.42 29.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 3.0 mt-30 -122.62 134.25 54.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.0 110.298 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.828 HD13 ' HD1' ' A' ' 15' ' ' PHE . 2.9 mp -119.17 158.25 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.113 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -9.86 9.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.109 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.455 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -118.1 141.28 16.14 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 12.8 ttt180 -82.76 -32.95 27.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -56.46 -43.25 79.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 0.0 110.448 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.717 ' CB ' HD12 ' B' ' 25' ' ' LEU . 2.8 ptm180 -82.74 -37.76 24.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.599 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.828 ' HD1' HD13 ' A' ' 9' ' ' ILE . 65.8 t80 -56.6 -50.89 70.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.288 -0.882 . . . . 0.0 109.575 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.86 -38.89 4.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.0 109.617 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 2.8 mm-40 -63.46 -46.99 83.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.845 . . . . 0.0 109.706 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 15.0 m-30 -67.48 -51.5 50.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.6 tpt85 -42.48 -65.97 0.41 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.175 -0.953 . . . . 0.0 109.994 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.57 -36.28 44.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.523 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.1 OUTLIER -64.36 -51.04 65.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.376 -0.827 . . . . 0.0 109.63 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ARG . 6.0 t-20 -44.56 -49.65 10.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.282 -0.886 . . . . 0.0 109.483 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.11 -56.52 17.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.82 . . . . 0.0 109.778 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.01 79.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 109.903 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD12 ' CB ' ' B' ' 14' ' ' ARG . 2.7 mm? -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.823 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.96 -50.0 58.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 0.0 109.811 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.46 -32.38 69.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.94 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.3 tptt -59.7 -40.22 87.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.909 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -77.59 -47.61 18.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 110.072 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.15 -28.94 2.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.219 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.263 0.554 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -127.72 164.31 22.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.151 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 63.8 m -152.43 150.41 29.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 110.301 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -0.879 . . . . 0.0 110.049 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 3.0 mt-30 -122.58 134.34 54.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.176 -0.953 . . . . 0.0 110.361 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.814 HD13 ' HD1' ' B' ' 15' ' ' PHE . 2.8 mp -119.25 158.11 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.93 -9.6 10.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 0.0 110.164 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.459 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -118.26 141.42 16.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -82.86 -33.53 27.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.69 -44.98 77.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 110.139 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.79 ' CB ' HD12 ' A' ' 25' ' ' LEU . 2.7 ptm180 -81.0 -38.19 27.96 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.963 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.814 ' HD1' HD13 ' B' ' 9' ' ' ILE . 65.1 t80 -56.29 -50.81 70.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.151 -0.968 . . . . 0.0 109.694 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 15' ' ' PHE . 13.8 mm-40 -44.77 -38.62 4.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.262 -0.899 . . . . 0.0 109.78 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 2.8 mm-40 -63.81 -46.4 85.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 15.1 m-30 -68.8 -49.81 55.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 110.002 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.4 tpt85 -43.64 -65.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.814 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.25 -35.51 50.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.557 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -64.95 -50.76 65.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 0.0 109.645 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 21' ' ' ARG . 5.9 t-20 -44.77 -49.55 10.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.529 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.24 -56.37 19.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.388 -0.82 . . . . 0.0 109.748 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.19 78.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 109.793 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.717 HD12 ' CB ' ' A' ' 14' ' ' ARG . 2.7 mm? -61.97 -38.09 87.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -51.16 -49.52 60.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.322 -0.861 . . . . 0.0 109.875 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.01 -32.21 68.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 0.0 109.84 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.9 tptt -59.71 -40.11 86.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -77.77 -47.6 18.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.124 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.85 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 110.122 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.172 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 5.9 p90 . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.199 0.523 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' HB3' ' CD2' ' B' ' 15' ' ' PHE . 40.6 m-85 -118.85 178.88 4.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 110.213 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 98.6 m -157.49 155.7 30.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' B' ' 18' ' ' PHE . 0.9 OUTLIER -137.21 163.23 31.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 24.8 mt-30 -136.36 133.83 37.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 110.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 15' ' ' PHE . 3.2 mp -118.63 163.59 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -0.95 . . . . 0.0 110.106 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.451 ' N ' HG22 ' A' ' 9' ' ' ILE . 16.5 ttt-85 -128.44 -0.04 5.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.262 -0.899 . . . . 0.0 110.383 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.569 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -135.32 143.89 15.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -75.39 -39.42 59.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -1.145 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -53.5 -40.48 65.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' B' ' 25' ' ' LEU . 4.2 mtp180 -83.08 -47.28 11.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 109.286 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.631 ' HB2' HG21 ' A' ' 9' ' ' ILE . 50.6 t80 -47.86 -48.01 31.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 1.2 mm-40 -44.98 -39.72 5.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.347 -0.846 . . . . 0.0 109.587 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -66.28 -48.51 70.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.7 m-85 -63.02 -59.1 5.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.283 -0.886 . . . . 0.0 110.182 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 12.1 tpt85 -43.33 -69.17 0.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.12 -0.987 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' ARG . 7.3 tt0 -43.8 -41.45 5.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.609 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.605 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.1 mpt_? -67.29 -43.75 80.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.341 -0.85 . . . . 0.0 109.657 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.455 ' HB2' HD21 ' B' ' 7' ' ' LEU . 6.9 t-20 -44.71 -41.54 6.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.852 . . . . 0.0 109.465 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.55 -50.2 14.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.74 79.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.838 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.9 mm? -60.12 -41.11 91.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.839 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.44 -46.85 56.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.736 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.55 -35.98 63.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 109.939 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.8 tptt -47.87 -46.73 31.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 0.0 110.077 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.11 -30.0 31.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -75.68 -8.04 55.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -0.86 . . . . 0.0 110.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.553 ' HG3' HD23 ' A' ' 27' ' ' LEU . 24.6 mt-30 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.304 -0.872 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 6.3 p90 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.253 0.549 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.5 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 40.2 m-85 -118.37 179.37 4.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.256 -0.903 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 94.7 m -158.15 156.02 30.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.142 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 18' ' ' PHE . 0.9 OUTLIER -137.46 163.2 31.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.344 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 24.5 mt-30 -136.3 132.56 35.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.879 . . . . 0.0 110.171 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' B' ' 15' ' ' PHE . 3.2 mp -117.32 163.69 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.263 -0.898 . . . . 0.0 110.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.443 ' N ' HG22 ' B' ' 9' ' ' ILE . 16.6 ttt-85 -128.63 0.37 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 110.403 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.586 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -135.9 143.67 15.24 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -75.09 -40.09 60.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -1.102 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.53 -42.15 64.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.216 -0.928 . . . . 0.0 109.96 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 25' ' ' LEU . 4.1 mtp180 -81.43 -48.27 12.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 0.0 109.677 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.62 ' HB2' HG21 ' B' ' 9' ' ' ILE . 51.7 t80 -47.06 -47.72 22.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.08 -39.14 5.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.699 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -66.95 -48.66 67.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.95 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.5 m-85 -62.83 -58.68 6.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 110.049 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 12.1 tpt85 -44.05 -69.06 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 19' ' ' ARG . 7.3 tt0 -43.94 -41.33 5.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.669 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.587 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.1 mpt_? -67.09 -43.47 82.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.0 109.716 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 6.7 t-20 -44.89 -41.21 6.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.618 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -77.02 -50.63 12.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 0.0 109.761 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.87 78.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.86 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.9 mm? -60.07 -41.1 91.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.45 -46.09 56.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.937 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.531 HD23 ' HG3' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -75.34 -35.74 61.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.87 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.7 tptt -48.05 -46.2 33.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.294 -0.878 . . . . 0.0 109.994 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.83 -29.6 29.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' B' ' 27' ' ' LEU . . . -76.15 -8.09 56.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 110.238 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.531 ' HG3' HD23 ' B' ' 27' ' ' LEU . 24.7 mt-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.239 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.272 0.558 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ILE . 97.9 m-85 -122.7 176.72 5.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -153.91 163.84 39.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.287 -0.883 . . . . 0.0 110.138 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.4 ' C ' ' HG2' ' A' ' 8' ' ' GLN . 2.6 mt -150.89 167.18 28.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.288 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 7' ' ' LEU . 2.1 mt-30 -129.36 132.87 47.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 110.129 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.471 HG12 ' CE2' ' A' ' 18' ' ' PHE . 5.2 mt -119.57 157.83 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -136.86 89.64 2.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 110.222 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.93 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.75 -50.86 7.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -1.149 . . . . 0.0 110.233 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 12' ' ' ARG . 1.4 mt-10 -42.6 -43.81 3.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.89 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.927 ' CB ' HD12 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -82.58 -38.58 23.44 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.225 -0.922 . . . . 0.0 109.331 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -53.52 -48.13 69.31 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.334 -0.854 . . . . 0.0 109.461 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -45.66 -34.16 3.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.855 . . . . 0.0 109.2 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 54.2 mm-40 -69.35 -46.92 65.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.477 ' CE1' ' HG2' ' B' ' 21' ' ' ARG . 96.3 m-85 -69.58 -57.45 5.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.863 . . . . 0.0 109.951 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.4 tpt180 -42.83 -64.04 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.763 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -47.94 -44.02 29.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -61.05 -37.1 81.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 0.0 109.468 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.0 t-20 -54.92 -58.86 5.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.384 -0.822 . . . . 0.0 109.561 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.51 -40.2 36.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -56.7 -47.34 80.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.434 -0.791 . . . . 0.0 109.511 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.922 HD12 ' CB ' ' B' ' 14' ' ' ARG . 0.8 OUTLIER -51.06 -43.94 61.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.0 109.34 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.7 tt0 -54.62 -53.53 53.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.361 -0.837 . . . . 0.0 109.723 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.41 -34.95 70.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -0.848 . . . . 0.0 109.894 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 15.6 tppt? -58.79 -35.02 72.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 109.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.56 -52.52 11.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 0.0 110.041 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.74 -8.64 37.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.202 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 52.4 p90 . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.355 0.598 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' ILE . 98.0 m-85 -122.67 176.55 5.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 0.0 110.204 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.0 m -153.76 163.78 39.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.402 ' C ' ' HG2' ' B' ' 8' ' ' GLN . 2.6 mt -150.82 167.06 28.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' B' ' 7' ' ' LEU . 2.1 mt-30 -129.27 132.62 47.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.281 -0.887 . . . . 0.0 110.11 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' B' ' 18' ' ' PHE . 5.2 mt -119.45 157.71 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.273 -0.892 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -136.76 89.89 2.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' B' ' 12' ' ' ARG . . . 138.91 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -43.79 -50.8 7.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -1.173 . . . . 0.0 110.22 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 12' ' ' ARG . 1.4 mt-10 -42.61 -45.36 4.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.922 ' CB ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -80.79 -38.85 27.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.73 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 67.2 t80 -53.37 -48.14 68.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.8 mm-40 -45.43 -33.63 2.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 0.0 109.419 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 54.1 mm-40 -69.96 -46.76 64.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.405 -0.809 . . . . 0.0 109.619 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.478 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 94.9 m-85 -70.03 -56.59 6.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.824 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.3 tpt180 -43.67 -63.89 0.76 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 109.63 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -48.14 -43.58 31.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.28 -0.888 . . . . 0.0 109.18 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -61.71 -36.82 82.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 109.45 179.317 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -54.67 -59.14 5.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.545 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -40.15 33.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.293 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 21' ' ' ARG . . . -56.89 -46.95 81.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.498 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.927 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -51.35 -43.31 61.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 179.316 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.509 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.7 tt0 -55.28 -53.18 59.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.387 -0.82 . . . . 0.0 109.618 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.77 -34.77 69.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.748 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' B' ' 28' ' ' LYS . 15.4 tppt? -58.95 -34.79 72.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.9 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.97 -52.65 10.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -0.833 . . . . 0.0 109.994 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.67 36.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 110.222 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 110.225 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.9 p90 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.253 0.549 . . . . 0.0 110.249 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -119.21 -174.9 2.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.4 m -157.42 153.34 27.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -142.65 155.82 44.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.911 . . . . 0.0 110.22 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -118.67 140.08 50.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 15' ' ' PHE . 15.2 mm -120.99 168.26 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.286 -0.884 . . . . 0.0 110.306 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -149.34 29.69 0.78 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 0.0 110.316 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.09 115.1 0.64 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 9.2 ttp180 -62.42 -30.12 70.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 110.212 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -58.06 -55.05 40.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.808 ' CB ' HD12 ' B' ' 25' ' ' LEU . 17.6 ptt180 -82.6 -34.22 27.72 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.2 -0.937 . . . . 0.0 109.514 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CE1' HD12 ' B' ' 7' ' ' LEU . 82.9 t80 -54.9 -55.49 30.01 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.315 -0.866 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.0 mm-40 -43.58 -35.18 1.62 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.815 . . . . 0.0 109.659 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 17.8 mt-30 -67.47 -42.97 82.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.906 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -74.92 -54.5 7.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.312 -0.867 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 58.9 ttt180 -44.85 -63.11 0.99 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.151 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -52.62 -46.47 67.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.4 mmt180 -65.68 -42.9 90.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.93 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 5.1 t-20 -44.53 -48.46 10.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.74 -51.67 63.87 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.419 -0.801 . . . . 0.0 109.358 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.55 -47.88 80.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.372 -0.83 . . . . 0.0 109.204 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.803 HD12 ' CB ' ' B' ' 14' ' ' ARG . 1.1 mm? -61.57 -38.44 87.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.378 -0.826 . . . . 0.0 109.292 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.26 -43.85 43.26 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.35 -0.843 . . . . 0.0 109.236 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' GLN . 2.0 tp -69.21 -36.61 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.383 -0.823 . . . . 0.0 109.872 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 3.6 tptp -56.25 -53.51 56.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.062 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' B' ' 13' ' ' GLU . 1.3 m-20 -72.4 -66.31 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 0.0 110.154 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.77 -31.82 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 0.0 110.184 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' LEU . 70.3 mt-30 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 110.017 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.233 0.54 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -119.6 -174.81 2.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 55.7 m -157.4 153.5 27.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.1 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.641 HD12 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -142.99 154.83 44.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -117.64 140.64 49.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.441 HG21 ' HB2' ' B' ' 15' ' ' PHE . 15.2 mm -121.41 168.2 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 110.227 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -149.21 29.71 0.79 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 110.276 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.18 114.89 0.63 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 9.3 ttp180 -62.09 -30.91 71.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -1.124 . . . . 0.0 110.124 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.407 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 6.5 mp0 -57.14 -57.11 14.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.903 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.803 ' CB ' HD12 ' A' ' 25' ' ' LEU . 17.4 ptt180 -80.43 -34.61 35.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -0.931 . . . . 0.0 109.893 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.624 ' CE1' HD12 ' A' ' 7' ' ' LEU . 83.6 t80 -54.48 -55.81 25.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.822 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.23 -34.76 1.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.831 . . . . 0.0 109.885 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 17.9 mt-30 -68.09 -42.0 81.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.0 109.965 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.63 -52.76 9.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.0 110.0 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 58.1 ttt180 -46.09 -62.37 1.36 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 110.038 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -53.44 -45.94 69.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' ASN . 13.4 mmt180 -65.87 -43.11 89.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 5.2 t-20 -44.53 -48.33 10.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.331 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.88 -51.63 63.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.27 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.8 81.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.29 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.808 HD12 ' CB ' ' A' ' 14' ' ' ARG . 1.1 mm? -61.75 -38.1 86.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.401 -0.812 . . . . 0.0 109.366 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.67 -42.29 45.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.281 -0.887 . . . . 0.0 109.421 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' B' ' 31' ' ' GLN . 2.0 tp -70.71 -36.21 73.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.397 -0.814 . . . . 0.0 109.699 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 3.3 tptp -56.42 -53.08 61.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 0.0 110.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' B' ' 30' ' ' ALA . 1.3 m-20 -73.04 -66.34 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.221 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.81 -31.64 0.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.461 ' O ' ' O ' ' B' ' 27' ' ' LEU . 70.0 mt-30 . . . . . 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.881 . . . . 0.0 110.119 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 51.1 p90 . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.251 0.548 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' B' ' 12' ' ' ARG . 61.1 m-85 -120.85 165.58 14.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.946 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 7' ' ' LEU . 3.7 m -156.69 153.79 29.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.918 . . . . 0.0 110.163 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' B' ' 19' ' ' ARG . 1.3 mt -140.79 148.02 39.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 110.191 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.52 134.6 55.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.531 HG23 ' NH2' ' A' ' 14' ' ' ARG . 2.9 mp -120.47 153.48 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 110.186 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -107.57 -9.37 15.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.235 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -114.74 123.46 6.01 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HB2' ' CE1' ' B' ' 5' ' ' PHE . 42.3 ttt180 -62.27 -47.24 85.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -1.168 . . . . 0.0 110.204 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.04 -33.78 2.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.531 ' NH2' HG23 ' A' ' 9' ' ' ILE . 20.1 mtp180 -82.75 -40.27 20.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.416 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 73.6 t80 -61.86 -50.25 73.01 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.441 -0.787 . . . . 0.0 110.0 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.4 mm-40 -43.52 -39.83 3.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.71 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -66.84 -46.0 76.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.342 -0.849 . . . . 0.0 109.911 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 10.1 m-30 -68.32 -53.14 26.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.892 . . . . 0.0 110.233 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 29.5 tpt180 -43.24 -58.11 2.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.168 -0.957 . . . . 0.0 109.8 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.79 -42.15 64.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.596 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -63.55 -48.12 78.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 0.0 109.809 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.444 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 20.7 t-20 -43.0 -51.95 5.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.873 . . . . 0.0 109.754 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.51 -50.5 72.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.21 66.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.891 . . . . 0.0 109.685 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.5 mm? -58.36 -35.97 72.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.3 -46.11 65.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.268 -0.895 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 12.1 tp -74.86 -29.27 60.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.402 -0.812 . . . . 0.0 109.927 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -56.6 -61.72 2.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 109.967 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -27.56 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -79.06 -2.29 39.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.094 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.199 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 p90 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' B' ' 5' ' ' PHE . 61.9 m-85 -121.01 165.75 14.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m -156.83 153.83 28.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.428 HD11 ' HD2' ' A' ' 19' ' ' ARG . 1.3 mt -140.83 147.95 39.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 110.181 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.43 134.73 55.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.316 -0.865 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.536 HG23 ' NH2' ' B' ' 14' ' ' ARG . 2.9 mp -120.59 153.6 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 0.0 110.048 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -107.59 -10.06 15.76 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 110.203 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.488 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -114.24 123.52 6.09 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 42.6 ttt180 -62.08 -47.81 83.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.224 -1.162 . . . . 0.0 110.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 12' ' ' ARG . 2.1 tt0 -43.98 -35.91 2.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.895 . . . . 0.0 110.018 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.536 ' NH2' HG23 ' B' ' 9' ' ' ILE . 19.7 mtp180 -80.78 -40.48 25.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.895 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' B' ' 19' ' ' ARG . 73.8 t80 -61.84 -50.05 73.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.307 -0.871 . . . . 0.0 110.027 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.35 -39.83 3.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.822 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.06 -45.9 75.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.899 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 10.0 m-30 -68.7 -52.2 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.495 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 29.5 tpt180 -44.36 -57.02 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.142 -0.974 . . . . 0.0 109.76 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.99 -41.48 67.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.675 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -63.98 -47.98 78.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.404 -0.81 . . . . 0.0 109.857 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 21' ' ' ARG . 20.8 t-20 -43.24 -51.73 6.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.349 -0.844 . . . . 0.0 109.776 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -57.52 -50.32 73.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.869 . . . . 0.0 109.613 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.23 -52.06 66.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.334 -0.854 . . . . 0.0 109.725 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' B' ' 25' ' ' LEU . 2.6 mm? -58.53 -35.47 72.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 109.639 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.63 -44.86 66.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.432 ' HA ' ' HB3' ' B' ' 30' ' ' ALA . 11.9 tp -76.37 -28.76 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.376 -0.828 . . . . 0.0 109.789 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.475 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -57.06 -60.81 3.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.402 -0.811 . . . . 0.0 109.911 179.715 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -72.61 -26.81 61.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -0.909 . . . . 0.0 110.021 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' B' ' 27' ' ' LEU . . . -79.74 -2.46 43.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 110.157 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' B' ' 28' ' ' LYS . 1.6 mt-30 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.227 0.537 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 13.7 m-85 -135.16 161.38 35.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.312 -0.867 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -134.48 129.01 34.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.941 . . . . 0.0 110.423 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' B' ' 7' ' ' LEU . 1.7 tt -118.94 143.28 47.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.275 -0.891 . . . . 0.0 109.975 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -128.55 137.94 51.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.338 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.701 HD13 ' HD1' ' A' ' 15' ' ' PHE . 2.4 mp -130.05 151.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.118 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 10' ' ' ARG . 12.2 ttt180 -120.58 -1.01 10.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.189 -0.945 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.488 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -112.85 126.74 7.63 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.41 75.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -1.17 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.05 -35.27 79.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.798 ' HB3' HD12 ' B' ' 25' ' ' LEU . 9.1 mpt_? -82.82 -40.12 20.79 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.316 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.701 ' HD1' HD13 ' A' ' 9' ' ' ILE . 40.1 t80 -51.03 -46.74 61.68 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.056 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.99 -37.45 4.04 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.372 -0.83 . . . . 0.0 109.005 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -65.49 -51.17 61.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.423 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' B' ' 21' ' ' ARG . 96.7 m-85 -69.43 -51.99 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 109.617 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' PHE . 2.5 tpt180 -43.1 -66.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ARG . 89.8 mt-10 -44.7 -49.57 10.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' B' ' 18' ' ' PHE . 4.5 tpt180 -56.66 -38.2 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.389 -0.819 . . . . 0.0 109.454 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -52.54 -50.89 61.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 109.357 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -47.28 82.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 109.39 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -50.3 70.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.399 -0.813 . . . . 0.0 109.503 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -46.27 -47.12 18.22 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.552 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.801 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -53.8 -52.44 60.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.808 . . . . 0.0 109.703 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -26.14 64.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.845 . . . . 0.0 109.829 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -74.85 -29.69 61.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 0.0 110.005 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.88 -44.77 30.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.984 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -17.43 4.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 109.945 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 110.146 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.316 0.579 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 13.6 m-85 -135.53 161.22 36.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.404 ' O ' HG23 ' B' ' 6' ' ' THR . 3.1 t -134.43 129.09 34.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.165 -0.959 . . . . 0.0 110.429 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . 1.7 tt -118.97 143.42 47.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.336 -0.853 . . . . 0.0 109.894 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -128.65 137.85 51.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.098 -1.001 . . . . 0.0 110.362 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.703 HD13 ' HD1' ' B' ' 15' ' ' PHE . 2.4 mp -129.86 151.79 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.902 . . . . 0.0 110.191 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' B' ' 10' ' ' ARG . 12.0 ttt180 -120.66 -0.55 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.35 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.48 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -113.31 126.53 7.47 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.66 -37.17 76.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -1.138 . . . . 0.0 110.155 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.16 -36.82 83.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.942 . . . . 0.0 110.042 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' B' ' 14' ' ' ARG . 9.2 mpt_? -81.06 -40.78 23.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 109.678 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.703 ' HD1' HD13 ' B' ' 9' ' ' ILE . 39.7 t80 -50.63 -46.86 58.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.0 109.31 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.2 mm-40 -44.53 -37.55 3.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.868 . . . . 0.0 109.282 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.46 -50.8 63.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.51 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 94.8 m-85 -70.31 -50.95 33.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.469 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' B' ' 18' ' ' PHE . 2.4 tpt180 -43.79 -66.13 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.506 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 19' ' ' ARG . 89.5 mt-10 -45.36 -49.08 13.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 4.7 tpt180 -56.92 -37.93 72.17 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.418 -0.801 . . . . 0.0 109.493 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.77 -51.09 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.357 -0.839 . . . . 0.0 109.323 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.42 -47.17 82.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.361 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.0 109.457 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.825 HD23 ' N ' ' B' ' 26' ' ' GLU . 0.9 OUTLIER -46.33 -47.12 18.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.401 -0.812 . . . . 0.0 109.471 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.825 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.2 tt0 -53.9 -52.39 60.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.81 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -26.14 64.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.333 -0.854 . . . . 0.0 109.832 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.89 61.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.376 -0.827 . . . . 0.0 109.996 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.507 ' OD1' ' NH1' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -76.68 -44.8 32.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.011 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -17.41 4.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.981 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 110.19 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 26.4 p90 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.233 0.54 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -118.88 171.96 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 109.964 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 7' ' ' LEU . 47.1 m -158.83 162.93 37.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 110.4 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' HG23 ' B' ' 6' ' ' THR . 2.0 mt -147.86 165.16 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.143 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -126.72 129.83 49.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.629 HG23 ' NE ' ' A' ' 14' ' ' ARG . 35.7 mt -126.41 148.1 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.278 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -118.42 98.57 6.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.895 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.41 135.79 3.64 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.1 -21.0 33.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -1.127 . . . . 0.0 110.26 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -61.47 -48.02 83.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.629 ' NE ' HG23 ' A' ' 9' ' ' ILE . 8.6 ptm180 -83.39 -40.7 19.04 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 109.682 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 88.8 t80 -51.04 -49.72 59.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 3.7 mm-40 -45.43 -36.2 4.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.332 -0.855 . . . . 0.0 109.7 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -68.46 -47.22 67.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.302 -0.874 . . . . 0.0 110.048 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 88.1 m-85 -64.18 -55.34 22.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HD2' HD21 ' B' ' 7' ' ' LEU . 9.2 tpt180 -43.53 -58.44 2.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.03 -1.043 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.36 -48.58 25.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.842 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.602 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 2.9 mmt180 -57.91 -49.86 75.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.301 -0.874 . . . . 0.0 109.927 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 1.7 t30 -40.64 -48.1 2.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.66 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.53 -56.61 16.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.0 109.823 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.83 76.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.0 109.733 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.2 mm? -59.49 -44.51 93.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -47.39 11.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.171 -0.956 . . . . 0.0 109.268 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.6 mt -66.73 -48.28 69.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.77 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.4 tppp? -43.03 -36.7 1.67 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.236 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.2 -42.51 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.386 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.06 7.89 12.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 110.462 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.5 mt-30 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.214 0.53 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -118.36 172.11 7.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.873 . . . . 0.0 109.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 7' ' ' LEU . 46.8 m -158.99 162.83 36.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 0.0 110.319 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 2.0 mt -147.75 165.33 30.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.1 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -126.83 129.49 48.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.903 . . . . 0.0 110.073 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.626 HG23 ' NE ' ' B' ' 14' ' ' ARG . 35.2 mt -126.21 147.97 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.307 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.28 98.77 6.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.25 135.53 3.61 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -1.148 . . . . 0.0 110.232 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -60.9 -48.77 80.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.626 ' NE ' HG23 ' B' ' 9' ' ' ILE . 8.4 ptm180 -82.73 -40.66 20.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 110.056 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' B' ' 14' ' ' ARG . 89.2 t80 -51.14 -49.42 60.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.961 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' B' ' 12' ' ' ARG . 3.7 mm-40 -45.36 -36.09 3.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -68.54 -46.89 68.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 110.132 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 90.2 m-85 -65.36 -53.33 45.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' B' ' 18' ' ' PHE . 9.5 tpt180 -45.06 -56.7 4.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.56 -47.58 49.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 109.865 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.524 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.0 mmt180 -58.51 -48.65 80.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.937 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 1.7 t30 -41.99 -47.31 4.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.453 -0.779 . . . . 0.0 109.848 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.45 -55.64 22.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 0.0 109.735 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -49.52 77.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.51 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 3.2 mm? -59.65 -44.51 93.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.765 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.07 -46.8 11.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 109.415 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.6 mt -67.33 -48.32 67.88 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.365 -0.834 . . . . 0.0 109.685 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.4 tppp? -43.0 -36.48 1.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 110.119 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.53 -42.41 22.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.272 -0.893 . . . . 0.0 110.389 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.18 7.73 12.85 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.0 110.433 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.179 -0.95 . . . . 0.0 110.286 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.255 0.55 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 71.1 m-85 -134.19 171.46 14.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.25 -0.906 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 t -149.44 135.2 18.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -130.12 149.86 51.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.863 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 9' ' ' ILE . 3.3 mt-30 -134.68 147.13 50.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.165 -0.959 . . . . 0.0 110.213 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 8' ' ' GLN . 41.3 mm -125.71 156.13 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.28 28.21 8.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.533 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -167.18 155.79 27.12 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.15 -26.39 23.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -1.13 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.67 -41.19 97.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.706 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.26 -41.46 18.3 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.247 -0.908 . . . . 0.0 109.444 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 51.4 t80 -48.92 -46.01 42.34 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.288 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.7 mm-40 -45.21 -34.4 2.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.372 -0.83 . . . . 0.0 109.142 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.2 mm-40 -72.82 -46.48 52.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.35 -0.844 . . . . 0.0 109.548 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.576 ' CE1' HD21 ' A' ' 7' ' ' LEU . 95.6 m-85 -65.48 -59.14 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.376 -0.828 . . . . 0.0 110.056 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 2.4 tpt180 -45.5 -48.86 14.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.927 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.1 -51.07 45.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.317 -0.864 . . . . 0.0 109.804 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 1.2 mmp_? -59.16 -44.05 92.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 109.821 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t-20 -43.81 -51.8 7.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.88 -46.99 87.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.433 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -59.2 -41.68 89.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.327 -0.858 . . . . 0.0 109.614 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 26' ' ' GLU . 3.3 tt -49.85 -57.56 7.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.722 ' N ' HD23 ' A' ' 25' ' ' LEU . 12.2 tt0 -47.45 -48.77 26.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -27.6 64.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.431 -0.793 . . . . 0.0 110.08 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' CG ' ' HD3' ' B' ' 14' ' ' ARG . 4.3 tptp -79.93 -42.17 24.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 0.0 110.051 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.461 ' OD2' ' HG ' ' A' ' 25' ' ' LEU . 4.0 m-20 -58.47 -46.0 87.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 109.891 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -31.31 5.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 110.002 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' LYS . 17.3 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 0.0 110.04 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.279 0.561 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 72.2 m-85 -134.12 171.42 14.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -149.72 135.0 18.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' B' ' 18' ' ' PHE . 0.7 OUTLIER -130.27 149.51 51.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.648 ' O ' HD13 ' B' ' 9' ' ' ILE . 3.2 mt-30 -134.25 147.5 50.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 110.23 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.648 HD13 ' O ' ' B' ' 8' ' ' GLN . 41.1 mm -125.86 156.32 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.902 . . . . 0.0 110.169 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.44 28.33 8.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.0 110.154 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.528 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -167.28 155.82 27.15 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.19 -27.08 23.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -1.152 . . . . 0.0 110.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.78 -42.46 97.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.078 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.613 ' HB3' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.04 -41.85 20.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.872 179.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.2 t80 -48.4 -46.11 36.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.481 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.7 mm-40 -44.85 -34.42 2.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.908 . . . . 0.0 109.354 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 4.3 mm-40 -73.0 -45.57 57.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.653 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 95.7 m-85 -66.73 -58.46 5.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.854 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.47 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 2.4 tpt180 -46.24 -47.96 17.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.776 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.14 -50.68 58.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.882 . . . . 0.0 109.86 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.2 mmp_? -59.59 -43.28 93.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.26 -0.9 . . . . 0.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 5.7 t-20 -44.53 -51.31 8.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.599 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.66 -45.69 93.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 109.46 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -60.39 -41.01 92.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.0 109.538 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.715 HD23 ' N ' ' B' ' 26' ' ' GLU . 3.2 tt -50.12 -57.32 7.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.318 -0.864 . . . . 0.0 109.469 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.715 ' N ' HD23 ' B' ' 25' ' ' LEU . 11.9 tt0 -47.7 -47.86 29.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.449 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -71.39 -27.59 63.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.8 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 3.0 tptp -79.66 -42.19 25.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 0.0 109.97 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.458 ' OD2' ' HG ' ' B' ' 25' ' ' LEU . 4.1 m-20 -58.99 -46.07 89.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.992 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.79 -31.52 5.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.929 . . . . 0.0 110.012 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 0.0 110.067 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.312 0.577 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -120.19 156.92 30.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 7' ' ' LEU . 16.0 m -141.19 170.72 15.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 110.381 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.566 ' N ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -153.12 153.37 32.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.249 -0.907 . . . . 0.0 110.051 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.31 132.8 52.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 0.0 110.159 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.664 HG23 ' CD1' ' B' ' 25' ' ' LEU . 3.3 mp -122.86 151.96 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.15 52.59 1.79 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.39 148.86 8.68 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -84.07 -27.9 27.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -1.163 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -73.35 -35.01 65.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 110.158 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.733 ' CB ' HD12 ' B' ' 25' ' ' LEU . 2.9 mtt85 -82.78 -38.4 23.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.29 -0.881 . . . . 0.0 109.215 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HD1' HD13 ' A' ' 9' ' ' ILE . 33.7 t80 -53.39 -42.35 66.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.268 -0.895 . . . . 0.0 109.307 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.1 -40.1 44.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.339 -0.851 . . . . 0.0 109.271 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -63.34 -44.73 94.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.35 179.299 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' ARG . 93.7 m-85 -70.64 -57.05 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 109.912 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.7 ttt85 -42.04 -68.06 0.22 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 109.974 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.25 -44.93 16.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 0.0 109.5 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -58.99 -39.68 82.52 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 109.64 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.2 t-20 -53.81 -49.95 67.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 109.62 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.47 -43.64 75.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.294 -0.879 . . . . 0.0 109.631 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -56.6 -40.38 75.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.822 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.842 ' CD1' HG23 ' B' ' 9' ' ' ILE . 1.5 tt -57.62 -54.45 46.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.671 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.782 ' N ' HD23 ' A' ' 25' ' ' LEU . 4.8 tm-20 -46.64 -56.97 5.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.0 109.688 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' C ' HD23 ' A' ' 27' ' ' LEU . 6.1 tt -68.6 -35.34 77.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.375 -0.828 . . . . 0.0 109.827 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.4 tptt -63.33 -38.3 90.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 110.013 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' ' NE ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -74.86 -51.57 13.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.973 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.48 -21.96 2.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.3 -0.875 . . . . 0.0 109.993 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.417 0.627 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' A' ' 9' ' ' ILE . 76.4 m-85 -120.21 157.4 29.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.908 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.584 HG22 ' N ' ' B' ' 7' ' ' LEU . 15.1 m -141.73 171.03 14.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.584 ' N ' HG22 ' B' ' 6' ' ' THR . 0.6 OUTLIER -153.27 153.61 33.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.131 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.52 132.44 52.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.184 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.842 HG23 ' CD1' ' A' ' 25' ' ' LEU . 3.3 mp -122.51 152.02 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.23 52.67 1.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.53 148.63 8.51 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -83.69 -28.6 28.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -1.143 . . . . 0.0 110.226 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.46 -36.49 68.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.173 -0.954 . . . . 0.0 109.929 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.696 ' CB ' HD12 ' A' ' 25' ' ' LEU . 2.8 mtt85 -81.37 -38.49 26.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.905 . . . . 0.0 109.627 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.433 ' HD1' HD13 ' B' ' 9' ' ' ILE . 33.5 t80 -53.39 -42.19 66.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.0 109.539 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.62 -40.85 40.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -62.67 -44.85 95.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 93.9 m-85 -70.86 -56.19 6.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 109.802 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 ttt85 -42.88 -67.77 0.25 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 0.0 109.773 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.62 -44.47 18.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.2 -0.937 . . . . 0.0 109.492 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -39.87 84.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -53.44 -50.03 66.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.859 . . . . 0.0 109.642 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.49 -43.64 75.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.285 -0.884 . . . . 0.0 109.717 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -56.79 -40.05 75.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.827 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.768 HD23 ' N ' ' B' ' 26' ' ' GLU . 1.5 tt -57.77 -54.53 45.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.331 -0.855 . . . . 0.0 109.729 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.768 ' N ' HD23 ' B' ' 25' ' ' LEU . 4.9 tm-20 -46.6 -56.98 5.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.711 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.572 HD23 ' C ' ' B' ' 27' ' ' LEU . 6.1 tt -68.66 -35.15 76.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.795 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 4.3 tptt -63.46 -38.36 90.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.94 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.46 ' OD2' ' NE ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -74.91 -51.53 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.343 -0.848 . . . . 0.0 110.022 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.69 -21.72 2.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 109.984 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.884 . . . . 0.0 110.05 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.453 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 10.8 p90 . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.27 0.557 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.57 -179.86 4.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.2 t -152.13 143.34 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -129.95 140.76 50.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.178 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -128.16 134.46 49.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 11' ' ' GLY . 6.6 mt -130.07 142.41 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.175 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 45.0 1.25 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 110.144 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.409 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -155.9 133.48 3.73 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.5 -48.93 29.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.01 -36.64 60.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 110.269 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.86 ' HG3' HD21 ' B' ' 25' ' ' LEU . 20.0 mmt180 -83.07 -48.57 10.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.371 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD2' ' CG ' ' B' ' 5' ' ' PHE . 10.4 t80 -47.89 -46.54 31.68 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.66 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -45.88 -38.18 7.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.0 109.41 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 17.4 mt-30 -67.69 -47.31 69.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.373 -0.829 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.721 ' CE1' HD12 ' B' ' 25' ' ' LEU . 96.5 m-85 -72.02 -54.4 10.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.307 -0.871 . . . . 0.0 109.78 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 7.7 ttp180 -46.72 -65.81 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.223 -0.923 . . . . 0.0 109.802 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -48.21 -41.6 27.79 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.209 -0.932 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 3.9 tpt180 -60.62 -42.77 97.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.564 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.581 ' HB2' HD11 ' B' ' 7' ' ' LEU . 18.1 t-20 -51.13 -50.92 57.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.401 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -52.13 -52.54 50.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.0 109.168 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.86 38.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.291 -0.881 . . . . 0.0 109.006 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD11 HG23 ' B' ' 9' ' ' ILE . 1.7 tt -56.86 -57.74 11.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.466 -0.771 . . . . 0.0 109.304 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.39 -36.47 9.74 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.245 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -80.18 -44.51 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 109.934 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 6.4 tppt? -65.47 -35.62 81.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -50.23 43.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -14.79 63.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 3.1 mt-30 . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.209 -0.932 . . . . 0.0 110.142 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 10.8 p90 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.258 0.551 . . . . 0.0 110.245 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.536 ' CG ' ' CD2' ' A' ' 15' ' ' PHE . 32.5 m-85 -120.58 -179.88 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.253 -0.905 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -152.14 143.21 23.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.211 -0.931 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 22' ' ' ASN . 10.8 tp -129.73 141.05 50.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.0 mt-30 -128.33 134.42 48.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -0.942 . . . . 0.0 110.224 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.568 HG23 HD11 ' A' ' 25' ' ' LEU . 6.6 mt -129.94 142.52 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.6 45.0 1.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -0.91 . . . . 0.0 110.199 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.413 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -155.87 133.41 3.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -73.45 -49.62 25.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -1.186 . . . . 0.0 110.196 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.91 -38.8 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.992 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -81.09 -49.28 11.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.363 -0.836 . . . . 0.0 109.827 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' B' ' 16' ' ' GLU . 10.4 t80 -47.34 -46.49 25.59 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 109.775 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.4 mt-10 -45.51 -38.22 6.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 17.7 mt-30 -67.7 -47.13 70.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.698 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 25' ' ' LEU . 95.3 m-85 -72.59 -53.67 11.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 7.7 ttp180 -47.26 -65.52 0.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.676 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -48.48 -41.61 30.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 4.0 tpt180 -60.5 -42.82 97.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.382 -0.824 . . . . 0.0 109.539 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 18.1 t-20 -51.24 -50.71 58.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 109.415 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.41 -52.02 56.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.31 -33.56 42.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.86 HD21 ' HG3' ' A' ' 14' ' ' ARG . 1.6 tt -56.76 -57.79 10.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.484 -0.76 . . . . 0.0 109.473 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.42 -35.4 8.4 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.418 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -81.26 -44.46 17.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 0.0 109.739 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 6.0 tppt? -65.55 -35.58 81.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.343 -0.848 . . . . 0.0 109.938 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -50.28 40.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.7 -14.85 63.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.272 -0.892 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 3.0 mt-30 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CZ ' ' HB3' ' B' ' 10' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.258 0.552 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.18 117.47 17.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.035 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -123.83 136.78 54.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.848 HD22 ' ND2' ' B' ' 22' ' ' ASN . 4.6 mt -122.4 156.82 33.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.931 . . . . 0.0 110.164 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -119.95 131.58 55.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.245 -0.909 . . . . 0.0 110.282 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' B' ' 4' ' ' TYR . 4.3 mt -125.34 149.4 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.264 -0.898 . . . . 0.0 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -124.91 44.82 2.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.237 -0.914 . . . . 0.0 110.306 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.91 105.48 0.26 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -46.71 -51.86 15.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -1.166 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.04 -35.85 7.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 47.7 mtm180 -83.16 -53.51 5.73 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 0.0 109.159 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 16' ' ' GLU . 39.0 t80 -47.33 -46.62 25.58 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.731 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' PHE . 11.1 mt-10 -44.27 -40.4 5.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.39 -0.819 . . . . 0.0 109.507 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.9 mm-40 -66.65 -43.96 83.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.301 -0.874 . . . . 0.0 109.482 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 98.7 m-85 -69.75 -54.8 12.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -0.9 . . . . 0.0 109.886 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -58.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.0 109.668 179.605 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -41.6 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -0.879 . . . . 0.0 109.581 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.63 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -68.77 -46.14 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.78 ' ND2' HD22 ' B' ' 7' ' ' LEU . 5.6 t-20 -43.33 -42.02 4.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.607 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -80.54 -48.21 13.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.12 97.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 4.3 mm? -63.55 -49.21 74.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.824 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.7 tm-20 -44.93 -46.25 10.87 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.588 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' OE1' ' A' ' 31' ' ' GLN . 5.3 tt -69.85 -31.89 69.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.71 -37.57 87.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 109.902 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB2' ' HD3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -71.42 -47.43 55.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.137 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.7 -10.04 24.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.931 . . . . 0.0 110.184 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.44 ' OE1' HD23 ' A' ' 27' ' ' LEU . 3.1 mt-30 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.864 . . . . 0.0 110.054 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.313 0.577 . . . . 0.0 110.311 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -133.14 117.51 17.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -123.94 136.72 54.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.934 . . . . 0.0 110.263 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.78 HD22 ' ND2' ' A' ' 22' ' ' ASN . 4.7 mt -122.29 157.14 32.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -120.19 131.77 55.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 4.3 mt -125.49 149.48 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.252 -0.905 . . . . 0.0 110.222 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.01 44.78 2.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.243 -0.911 . . . . 0.0 110.272 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.82 105.45 0.26 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -52.98 12.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -1.13 . . . . 0.0 110.147 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -45.44 -38.54 6.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.942 . . . . 0.0 109.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.469 ' HA ' HD12 ' A' ' 25' ' ' LEU . 46.9 mtm180 -80.49 -55.07 5.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.573 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' B' ' 16' ' ' GLU . 38.2 t80 -46.28 -46.44 17.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.881 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 11.0 mt-10 -44.1 -40.04 4.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 109.574 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 5.0 mm-40 -67.05 -43.27 83.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.654 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 98.5 m-85 -70.26 -54.45 12.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.0 109.786 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.81 -57.87 3.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.639 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.92 -41.55 62.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.58 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.605 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -68.94 -45.83 69.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 109.663 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.848 ' ND2' HD22 ' A' ' 7' ' ' LEU . 5.6 t-20 -43.54 -41.83 4.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.61 -48.62 12.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.4 96.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 4.3 mm? -63.11 -49.57 73.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.826 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' B' ' 25' ' ' LEU . 1.7 tm-20 -44.63 -45.98 9.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.689 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.434 HD23 ' OE1' ' B' ' 31' ' ' GLN . 5.5 tt -70.37 -31.6 68.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.861 . . . . 0.0 109.777 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.99 -37.19 86.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.364 -0.835 . . . . 0.0 109.912 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.444 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -71.78 -47.38 53.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.121 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -10.33 27.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.896 . . . . 0.0 110.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.434 ' OE1' HD23 ' B' ' 27' ' ' LEU . 3.2 mt-30 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 110.037 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' B' ' 10' ' ' ARG . 38.9 p90 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.273 0.559 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.29 178.43 5.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.31 134.27 14.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.2 tp -118.89 134.64 55.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.886 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.14 115.91 25.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 0.0 110.211 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.505 HD11 ' CD2' ' A' ' 7' ' ' LEU . 3.1 mp -119.05 128.69 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -95.3 40.65 1.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.0 110.216 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -157.6 124.05 1.36 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -66.48 -41.74 88.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -1.155 . . . . 0.0 110.208 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HB3' ' OD1' ' B' ' 29' ' ' ASP . 0.9 OUTLIER -47.02 -44.63 20.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.189 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HA ' HD12 ' B' ' 25' ' ' LEU . 21.0 mtp180 -83.24 -40.56 19.45 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.278 -0.889 . . . . 0.0 109.76 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLU . 51.4 t80 -60.68 -51.78 67.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.402 -0.811 . . . . 0.0 110.166 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' A' ' 12' ' ' ARG . 4.7 mm-40 -42.99 -40.06 2.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 0.0 109.562 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 4.6 mm-40 -65.2 -45.61 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.485 -0.759 . . . . 0.0 109.764 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 17.1 m-30 -69.94 -55.28 10.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.111 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' PHE . 4.6 ttt180 -41.18 -67.54 0.24 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.221 -0.924 . . . . 0.0 110.206 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.9 -43.97 29.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -62.21 -44.7 95.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CG ' HD11 ' B' ' 7' ' ' LEU . 23.1 t-20 -44.15 -49.57 8.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.276 -0.89 . . . . 0.0 109.571 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.63 -51.04 70.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.306 -0.871 . . . . 0.0 109.867 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.13 -53.86 50.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 109.756 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 3.1 mm? -52.0 -44.84 64.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.674 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -45.95 -54.18 8.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.898 . . . . 0.0 109.457 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.63 -38.52 77.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 109.905 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.2 tppt? -47.52 -55.98 8.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 109.903 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -47.57 83.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.88 . . . . 0.0 110.127 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.69 14.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.329 -0.857 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 . . . . . 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 0.0 110.318 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 10' ' ' ARG . 39.0 p90 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.296 0.57 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -126.39 178.19 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.17 133.49 14.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.511 ' CD2' HD11 ' B' ' 9' ' ' ILE . 21.1 tp -117.93 134.96 54.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.2 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.45 115.93 25.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 0.0 110.166 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.511 HD11 ' CD2' ' B' ' 7' ' ' LEU . 3.1 mp -119.16 128.79 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.897 . . . . 0.0 110.216 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -95.48 40.77 1.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.42 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -157.67 124.19 1.38 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.474 ' HG3' ' HG2' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -66.64 -41.62 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -1.138 . . . . 0.0 110.177 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -44.93 20.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.0 110.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 20.3 mtp180 -83.09 -40.31 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 110.027 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.4 t80 -60.97 -51.29 69.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 110.102 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.474 ' HG2' ' HG3' ' B' ' 12' ' ' ARG . 4.7 mm-40 -43.67 -37.63 2.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 109.735 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 4.6 mm-40 -68.08 -43.43 78.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.846 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 17.5 m-30 -72.4 -52.92 13.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.013 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' B' ' 18' ' ' PHE . 4.6 ttt180 -43.1 -67.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.0 109.907 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -47.59 -43.82 25.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.615 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -62.14 -44.29 96.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.354 -0.841 . . . . 0.0 109.745 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 22.9 t-20 -44.56 -49.17 10.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.686 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -62.21 -50.8 70.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.321 -0.862 . . . . 0.0 109.645 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.14 47.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.781 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.1 mm? -51.81 -44.29 63.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -0.848 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.53 -53.16 11.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.196 -0.94 . . . . 0.0 109.679 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 27' ' ' LEU . 0.3 OUTLIER -70.7 -38.05 73.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.802 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.506 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.3 tppt? -47.81 -55.47 9.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 109.825 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.96 -47.28 83.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.311 -0.868 . . . . 0.0 110.158 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.97 -26.71 16.08 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.273 -179.89 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 24.7 p90 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.208 0.527 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' B' ' 12' ' ' ARG . 25.8 m-85 -123.41 163.85 20.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 16.5 m -150.72 128.08 11.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.38 162.77 19.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 0.0 110.401 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -129.79 132.7 46.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.023 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 11' ' ' GLY . 2.6 mp -119.27 156.75 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.956 . . . . 0.0 110.371 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -134.31 34.07 3.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.589 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -154.03 129.85 2.76 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HD2' ' CZ ' ' B' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -55.76 14.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -1.144 . . . . 0.0 110.214 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 21.7 tt0 -44.31 -40.94 5.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 110.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.771 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.02 -45.31 14.21 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.567 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 45.9 t80 -51.78 -47.65 64.1 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.393 -0.817 . . . . 0.0 109.659 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 9.5 mt-10 -44.79 -38.01 4.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.292 -0.88 . . . . 0.0 109.336 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.83 -46.32 75.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.808 . . . . 0.0 109.601 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.3 m-85 -67.51 -58.86 3.97 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.906 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.4 tpt180 -43.48 -61.53 1.35 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.823 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -45.77 -49.05 15.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 3.6 mpt_? -57.01 -41.38 78.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 109.636 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 6.9 t-20 -50.46 -51.38 47.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.738 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.12 -44.41 74.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.265 -0.897 . . . . 0.0 109.49 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -62.89 -37.11 85.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.833 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' B' ' 14' ' ' ARG . 4.6 tt -57.41 -48.2 79.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.914 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.641 ' N ' HD23 ' A' ' 25' ' ' LEU . 10.4 mt-10 -57.38 -55.22 37.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.83 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.58 -24.66 64.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 109.832 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -77.34 -31.2 54.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.341 -0.849 . . . . 0.0 109.91 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.29 -48.56 33.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 110.124 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.43 -12.18 29.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.18 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 24.8 p90 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.269 0.557 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 25.9 m-85 -123.53 164.12 19.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 110.164 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 m -151.21 128.33 11.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 109.971 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.53 163.01 19.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 110.437 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 5.1 mt-30 -129.98 132.25 46.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.583 HG22 ' H ' ' B' ' 11' ' ' GLY . 2.6 mp -118.9 156.81 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -134.37 34.23 3.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.301 -0.874 . . . . 0.0 110.185 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.583 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -154.17 129.93 2.77 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -56.38 11.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.265 -1.138 . . . . 0.0 110.205 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' B' ' 14' ' ' ARG . 21.6 tt0 -43.43 -42.11 4.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.733 ' HB3' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -81.89 -46.17 14.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 0.0 109.766 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' GLU . 44.2 t80 -51.1 -47.71 61.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.703 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 9.5 mt-10 -44.4 -38.04 3.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' B' ' 21' ' ' ARG . 2.2 tm0? -67.04 -45.9 76.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.444 -0.785 . . . . 0.0 109.609 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.3 m-85 -68.1 -58.17 4.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 109.864 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.3 tpt180 -44.25 -61.44 1.5 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 109.717 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -45.92 -48.59 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.852 . . . . 0.0 109.62 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.591 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.6 mpt_? -57.55 -41.18 80.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.64 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 6.9 t-20 -50.36 -51.23 47.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.783 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.43 -43.63 75.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.584 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' B' ' 28' ' ' LYS . . . -63.84 -36.72 84.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.672 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' A' ' 14' ' ' ARG . 4.5 tt -57.56 -48.05 80.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.317 -0.865 . . . . 0.0 109.845 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.641 ' N ' HD23 ' B' ' 25' ' ' LEU . 10.4 mt-10 -57.56 -55.43 34.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.0 109.77 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.33 -24.87 64.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.819 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' B' ' 24' ' ' ALA . 0.3 OUTLIER -77.19 -31.15 55.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.355 -0.841 . . . . 0.0 109.841 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.52 -48.23 34.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.088 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.79 -12.38 35.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.156 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.874 . . . . 0.0 110.111 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 16.0 p90 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.286 0.565 . . . . 0.0 110.177 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 27.5 m-85 -120.89 169.49 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.112 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 0.8 OUTLIER -143.62 138.18 28.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.0 110.371 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -118.78 155.27 31.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.558 ' O ' HD13 ' A' ' 9' ' ' ILE . 6.3 mt-30 -136.28 130.94 33.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.277 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.558 HD13 ' O ' ' A' ' 8' ' ' GLN . 19.7 mm -119.67 145.6 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.167 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -108.04 -14.22 14.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.244 -0.91 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.15 150.65 17.49 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.28 -46.91 19.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -1.145 . . . . 0.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.03 -40.76 5.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.866 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' CB ' HD12 ' B' ' 25' ' ' LEU . 3.6 mtp180 -82.9 -44.46 15.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.205 -0.935 . . . . 0.0 109.359 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 89.9 t80 -57.15 -47.17 81.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.422 -0.799 . . . . 0.0 109.808 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' PHE . 4.4 mm-40 -44.99 -32.78 1.77 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.536 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 9.2 mm100 -74.28 -50.08 20.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 109.732 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 94.1 m-85 -62.21 -53.49 54.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -50.18 -66.17 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.888 . . . . 0.0 109.688 179.381 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.32 -40.44 17.07 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.925 . . . . 0.0 109.563 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.8 OUTLIER -68.36 -41.68 80.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 109.599 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.45 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 28.2 t-20 -46.92 -48.18 21.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.332 -0.855 . . . . 0.0 109.505 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -68.24 -41.74 80.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.0 109.698 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -56.88 7.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.322 -0.861 . . . . 0.0 109.714 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -54.42 -36.17 63.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 0.0 109.635 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 53.5 tt0 -55.56 -49.52 72.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.274 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.1 tt -74.78 -25.16 58.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.35 -0.844 . . . . 0.0 109.804 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 5.8 tptt -58.82 -47.04 86.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.035 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.04 -34.52 43.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.47 -12.42 60.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.259 -0.901 . . . . 0.0 110.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 110.245 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 15.8 p90 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.261 0.553 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 27.0 m-85 -120.75 169.56 10.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 0.0 110.078 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.75 137.31 28.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.388 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.468 HD23 HD11 ' B' ' 9' ' ' ILE . 0.3 OUTLIER -117.76 155.62 29.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 109.933 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.559 ' O ' HD13 ' B' ' 9' ' ' ILE . 6.0 mt-30 -136.38 131.03 33.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.559 HD13 ' O ' ' B' ' 8' ' ' GLN . 19.4 mm -119.83 145.62 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.216 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -107.75 -15.44 14.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.208 -0.933 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.71 17.89 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' B' ' 13' ' ' GLU . 14.5 ttt180 -78.22 -47.33 18.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -1.125 . . . . 0.0 110.235 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . 36.6 tt0 -43.23 -42.83 4.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 110.049 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 3.6 mtp180 -80.79 -45.76 16.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.831 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 5' ' ' PHE . 89.8 t80 -56.09 -47.21 78.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -0.839 . . . . 0.0 109.865 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 15' ' ' PHE . 4.3 mm-40 -44.69 -33.0 1.68 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.628 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' B' ' 17' ' ' GLN . 9.1 mm100 -74.15 -50.97 17.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.829 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.4 m-85 -61.93 -52.5 63.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.703 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -51.16 -65.48 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.85 -40.03 20.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.451 ' HG2' ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -68.69 -41.14 79.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.337 -0.852 . . . . 0.0 109.583 179.453 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 28.3 t-20 -47.22 -48.17 24.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.867 . . . . 0.0 109.559 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.35 -41.65 80.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.399 -0.813 . . . . 0.0 109.688 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.08 -56.68 7.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.69 -35.9 64.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.709 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 53.5 tt0 -55.59 -48.68 74.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.396 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.1 tt -75.73 -25.09 56.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 0.0 109.696 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 5.6 tptt -58.74 -46.94 86.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.313 -0.867 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.31 -34.26 42.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.58 60.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.356 0.598 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 41.4 m-85 -128.07 121.9 30.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.906 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.422 ' OG1' ' OE1' ' B' ' 8' ' ' GLN . 19.8 m -118.67 143.92 46.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.127 -0.983 . . . . 0.0 110.386 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 6' ' ' THR . 5.8 mt -122.93 156.74 34.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.852 . . . . 0.0 110.209 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -122.39 141.22 51.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 110.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.855 HG23 HD11 ' B' ' 25' ' ' LEU . 3.3 mt -134.67 149.43 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 24.84 8.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.359 -0.838 . . . . 0.0 110.028 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.689 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -140.14 124.65 2.72 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.72 -48.34 64.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -1.137 . . . . 0.0 110.345 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -36.31 46.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.238 -0.914 . . . . 0.0 110.455 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.07 -38.09 22.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.261 -0.899 . . . . 0.0 109.589 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' B' ' 5' ' ' PHE . 65.6 t80 -52.64 -48.18 66.57 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.324 -0.86 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.1 mt-10 -44.4 -34.67 2.1 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.349 -0.845 . . . . 0.0 109.282 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -70.2 -51.65 29.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.806 . . . . 0.0 109.958 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' B' ' 21' ' ' ARG . 78.6 m-85 -59.14 -59.45 5.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 109.986 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.8 tpt180 -43.18 -52.27 5.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 0.0 109.84 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.27 -55.71 4.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.413 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.636 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -53.51 -42.32 67.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.349 179.229 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ARG . 2.0 t-20 -43.88 -54.26 5.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.334 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.04 -49.9 70.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.398 -0.814 . . . . 0.0 109.363 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' N ' ' OE1' ' A' ' 23' ' ' GLU . . . -61.94 -42.35 99.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.633 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.892 HD11 HG23 ' B' ' 9' ' ' ILE . 6.0 tt -51.72 -42.71 62.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 0.0 109.619 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' N ' HD23 ' A' ' 25' ' ' LEU . 37.0 tp10 -60.26 -53.69 54.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 0.0 109.575 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -64.96 -27.45 68.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.852 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 6.3 tptt -66.4 -32.88 74.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.69 -29.64 32.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.28 0.69 24.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.309 0.576 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.547 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 40.2 m-85 -128.33 121.16 28.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.974 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 7' ' ' LEU . 19.4 m -117.89 144.05 45.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.917 . . . . 0.0 110.366 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 18' ' ' PHE . 5.6 mt -123.14 156.75 34.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.301 -0.874 . . . . 0.0 110.219 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.422 ' OE1' ' OG1' ' A' ' 6' ' ' THR . 4.4 mt-30 -122.34 140.98 52.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 25' ' ' LEU . 3.3 mt -134.61 149.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 24.87 8.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . 0.683 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -139.87 124.7 2.77 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.78 -48.76 62.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.236 -1.155 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.84 -38.2 47.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -39.24 26.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.995 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 63.8 t80 -51.35 -48.51 62.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.958 . . . . 0.0 109.634 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.1 mt-10 -43.93 -34.75 1.76 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.358 -0.839 . . . . 0.0 109.52 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.41 -51.0 32.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.915 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 79.1 m-85 -60.43 -57.98 10.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 0.0 109.905 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 tpt180 -44.39 -51.69 8.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.667 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -44.59 -55.35 5.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -0.89 . . . . 0.0 109.499 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -53.71 -42.02 67.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.859 . . . . 0.0 109.364 179.287 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' B' ' 21' ' ' ARG . 1.9 t-20 -44.25 -54.13 5.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 109.333 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -55.33 -48.45 74.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 0.0 109.506 179.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.414 ' N ' ' OE1' ' B' ' 23' ' ' GLU . . . -63.4 -42.06 98.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.611 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.855 HD11 HG23 ' A' ' 9' ' ' ILE . 5.9 tt -51.84 -42.38 62.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.27 -0.894 . . . . 0.0 109.596 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.454 ' N ' HD23 ' B' ' 25' ' ' LEU . 37.3 tp10 -60.35 -53.28 59.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.318 -0.864 . . . . 0.0 109.696 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -65.53 -27.79 68.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 179.519 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HD2' ' B' ' 28' ' ' LYS . 6.0 tptt -65.8 -32.87 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.391 -0.818 . . . . 0.0 110.072 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.2 -28.7 31.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.231 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.24 0.6 27.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 110.224 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 31.9 p90 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.232 0.539 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.453 ' CZ ' ' HD3' ' B' ' 12' ' ' ARG . 61.0 m-85 -133.04 170.22 15.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.217 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.485 HG23 ' O ' ' B' ' 7' ' ' LEU . 14.0 m -159.06 158.07 32.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.494 HD11 ' HD2' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -138.25 152.41 48.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.091 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.69 130.34 52.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 110.338 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 15' ' ' PHE . 2.7 mp -125.8 165.84 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.896 . . . . 0.0 109.992 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.7 ttt180 -125.38 -31.22 3.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.955 . . . . 0.0 110.504 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.35 125.74 8.64 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -72.36 -17.67 61.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.256 -1.143 . . . . 0.0 110.395 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -53.31 59.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 0.0 110.414 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.879 ' CB ' HD12 ' B' ' 25' ' ' LEU . 33.8 ptt180 -82.62 -34.11 27.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.71 ' HB2' HG21 ' A' ' 9' ' ' ILE . 6.2 t80 -56.9 -48.95 77.02 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.029 -1.045 . . . . 0.0 109.284 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.29 -40.53 25.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.379 -0.826 . . . . 0.0 109.202 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.1 mp0 -58.93 -42.75 90.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.419 -0.801 . . . . 0.0 109.293 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.54 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 21.7 m-30 -68.64 -54.26 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.39 -0.819 . . . . 0.0 109.97 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' B' ' 7' ' ' LEU . 5.2 tpt180 -42.87 -65.08 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.09 -35.91 27.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.382 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.89 -48.27 66.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.0 109.643 179.438 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 33.8 t30 -44.58 -48.42 10.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 109.694 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.15 -49.24 78.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.954 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -58.3 7.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.862 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.873 HD12 ' CB ' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -60.01 -36.87 78.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 28.8 tt0 -50.01 -48.98 52.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.533 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 3.7 mt -68.79 -30.08 68.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 0.0 109.88 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.74 -33.81 76.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.033 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.407 ' OD2' ' HB3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -82.22 -46.57 13.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.21 33.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.896 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.325 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.234 0.54 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 61.4 m-85 -132.95 170.45 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.893 . . . . 0.0 110.161 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 7' ' ' LEU . 13.4 m -159.29 158.07 31.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.199 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.24 152.21 48.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.51 130.1 52.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.0 110.375 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.713 HG21 ' HB2' ' B' ' 15' ' ' PHE . 2.7 mp -125.68 164.98 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.459 ' N ' HG22 ' B' ' 9' ' ' ILE . 1.7 ttt180 -124.02 -32.75 3.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.76 125.88 8.63 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -71.88 -18.42 62.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -1.146 . . . . 0.0 110.286 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -54.25 49.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 110.126 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.873 ' CB ' HD12 ' A' ' 25' ' ' LEU . 33.8 ptt180 -81.6 -34.61 30.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 110.081 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.713 ' HB2' HG21 ' B' ' 9' ' ' ILE . 6.7 t80 -56.51 -49.16 75.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.032 -1.042 . . . . 0.0 109.42 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.82 -40.65 21.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 109.305 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.1 mp0 -59.41 -41.76 90.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.403 -0.811 . . . . 0.0 109.46 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 22.2 m-30 -69.56 -53.01 21.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.494 ' HD2' HD11 ' A' ' 7' ' ' LEU . 5.2 tpt180 -44.0 -65.05 0.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.23 -0.919 . . . . 0.0 109.573 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -50.09 -35.71 26.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.909 . . . . 0.0 109.432 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.671 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 33.3 t30 -44.47 -48.58 10.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.34 -0.85 . . . . 0.0 109.752 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.21 -49.28 77.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.02 8.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.879 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -60.36 -36.69 78.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' B' ' 22' ' ' ASN . 28.6 tt0 -50.09 -48.41 53.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.177 -0.952 . . . . 0.0 109.602 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 3.7 mt -69.35 -29.87 67.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.837 . . . . 0.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.96 -33.03 74.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.373 -0.83 . . . . 0.0 109.962 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.21 -46.48 12.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.69 -17.26 33.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.125 -0.984 . . . . 0.0 110.33 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 35.1 p90 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.244 0.545 . . . . 0.0 110.206 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' B' ' 12' ' ' ARG . 69.8 m-85 -127.77 145.7 50.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.274 -0.891 . . . . 0.0 110.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 1.8 t -124.18 138.33 54.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 0.0 110.193 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' B' ' 19' ' ' ARG . 0.6 OUTLIER -131.28 130.13 42.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -121.18 135.54 55.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.873 . . . . 0.0 110.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 10' ' ' ARG . 3.5 mt -131.14 171.43 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' HG22 ' A' ' 9' ' ' ILE . 3.8 ttt180 -124.34 84.14 2.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 0.0 110.162 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 135.4 2.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 3.5 ttt180 -87.19 -12.42 46.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -1.148 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.57 -55.78 24.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.43 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HB2' HD12 ' B' ' 25' ' ' LEU . 1.7 ptp180 -82.67 -33.74 27.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.59 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 12' ' ' ARG . 52.6 t80 -61.03 -56.63 18.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.294 -0.879 . . . . 0.0 110.069 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -43.19 -27.82 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 109.578 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -73.42 -46.69 47.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.391 -0.818 . . . . 0.0 109.445 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' B' ' 22' ' ' ASN . 17.8 m-85 -70.92 -44.38 66.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.839 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 11.0 tpt180 -49.38 -60.55 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.19 -0.944 . . . . 0.0 109.939 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -46.09 72.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.868 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' GLN . 3.9 mmt180 -63.86 -45.49 89.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 0.0 109.958 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.521 ' HA ' ' CE2' ' B' ' 18' ' ' PHE . 2.7 t-20 -43.3 -53.29 5.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.833 . . . . 0.0 109.59 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.31 -53.29 59.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.21 82.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 0.0 109.561 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' B' ' 14' ' ' ARG . 0.5 OUTLIER -66.8 -40.09 87.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.838 . . . . 0.0 109.618 179.369 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.83 -49.96 14.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -38.79 83.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 14.4 tppt? -52.13 -32.05 33.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.047 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.4 -42.41 18.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.0 5.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.899 . . . . 0.0 110.334 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 35.2 p90 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.235 0.541 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 12' ' ' ARG . 70.1 m-85 -128.04 145.43 50.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.0 110.194 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -123.95 138.27 54.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.21 130.03 42.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.276 -0.89 . . . . 0.0 110.24 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 6.1 mt-30 -121.0 135.53 55.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.089 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.596 HG22 ' N ' ' B' ' 10' ' ' ARG . 3.5 mt -131.11 171.57 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.596 ' N ' HG22 ' B' ' 9' ' ' ILE . 3.8 ttt180 -124.54 84.1 2.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.891 . . . . 0.0 110.154 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.62 135.73 2.5 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.4 ttt180 -87.4 -12.88 44.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -1.128 . . . . 0.0 110.191 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -57.41 11.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.655 ' HB2' HD12 ' A' ' 25' ' ' LEU . 1.9 ptp180 -81.25 -33.28 32.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 109.981 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 12' ' ' ARG . 53.3 t80 -61.68 -55.81 26.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.24 -0.912 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' B' ' 17' ' ' GLN . 0.0 OUTLIER -43.69 -26.29 0.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 109.761 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -75.34 -45.59 38.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -0.884 . . . . 0.0 109.517 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 22' ' ' ASN . 19.2 m-85 -72.5 -42.76 64.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.774 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 11.2 tpt180 -50.57 -59.64 3.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.755 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -45.59 74.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 0.0 109.747 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' B' ' 17' ' ' GLN . 3.8 mmt180 -64.32 -45.53 87.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.525 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 2.7 t-20 -42.94 -53.49 4.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.825 . . . . 0.0 109.678 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.36 -52.35 65.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.481 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.94 86.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.477 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -67.06 -39.61 86.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.372 -0.83 . . . . 0.0 109.596 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.35 -48.97 18.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.207 -0.933 . . . . 0.0 109.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -38.26 78.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.321 -0.862 . . . . 0.0 109.739 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 14.5 tppt? -52.59 -31.01 34.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.85 -42.06 16.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 110.157 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -20.65 6.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.19 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.314 0.578 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.09 -159.71 31.79 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.38 156.98 43.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.259 -1.142 . . . . 0.0 110.151 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' A' ' 5' ' ' PHE . 50.8 p90 -157.32 -157.25 0.66 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.249 -0.907 . . . . 0.0 110.22 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' A' ' 4' ' ' TYR . 23.0 m-85 -145.36 170.17 16.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.302 -0.874 . . . . 0.0 110.067 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.4 t -152.0 137.9 18.09 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.156 -0.965 . . . . 0.0 110.478 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.64 144.41 48.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.289 -0.882 . . . . 0.0 109.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.438 ' C ' HD12 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -127.11 143.57 51.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.156 -0.965 . . . . 0.0 110.413 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.853 HG22 ' H ' ' A' ' 11' ' ' GLY . 4.1 mp -140.62 145.6 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 110.146 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -108.22 20.68 18.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.236 -0.915 . . . . 0.0 110.166 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.853 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -127.74 130.37 6.7 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -76.66 -34.2 58.28 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.202 -1.175 . . . . 0.0 110.34 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -61.24 -35.19 76.56 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.272 -0.893 . . . . 0.0 110.545 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' CD ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -83.17 -44.98 14.45 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.238 -0.914 . . . . 0.0 109.588 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 19' ' ' ARG . 82.9 t80 -48.5 -51.89 25.11 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.459 -0.776 . . . . 0.0 110.04 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 6.6 mm-40 -43.69 -37.35 2.59 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.325 -0.859 . . . . 0.0 109.644 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.645 ' OE1' HD21 ' B' ' 25' ' ' LEU . 2.7 mm-40 -68.32 -51.06 48.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.413 -0.805 . . . . 0.0 110.134 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 95.6 m-85 -65.5 -58.15 6.5 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 9.1 tpt180 -42.92 -65.28 0.5 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.141 -0.974 . . . . 0.0 109.919 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.61 -43.56 46.59 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -64.47 -42.16 96.09 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 109.572 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 50.4 t30 -45.89 -45.3 15.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.349 -0.845 . . . . 0.0 109.451 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.58 -46.06 77.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.469 -0.77 . . . . 0.0 109.815 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -56.26 19.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.261 -0.899 . . . . 0.0 109.966 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 HD21 ' OE1' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -59.45 -39.62 84.2 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.319 -0.863 . . . . 0.0 109.79 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 64.4 tt0 -51.38 -39.66 57.61 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.482 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.26 -34.35 63.56 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.37 -0.831 . . . . 0.0 110.086 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 7.0 tptt -52.76 -51.95 58.53 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.255 -0.903 . . . . 0.0 110.056 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' GLN . 0.3 OUTLIER -76.33 -57.14 4.04 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.208 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.23 -26.98 0.12 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.262 -0.899 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.486 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -118.54 113.35 21.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.198 -0.939 . . . . 0.0 110.237 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 31' ' ' GLN . . . 57.64 -142.06 0.73 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 0.0 110.203 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.83 -38.33 2.28 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.297 -1.12 . . . . 0.0 110.253 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.225 0.536 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.92 -159.8 32.03 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.28 157.02 43.77 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.229 -1.159 . . . . 0.0 110.163 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.439 ' C ' ' CG ' ' B' ' 5' ' ' PHE . 50.9 p90 -157.31 -157.37 0.67 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.247 -0.908 . . . . 0.0 110.158 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.439 ' CG ' ' C ' ' B' ' 4' ' ' TYR . 23.2 m-85 -145.38 170.23 16.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.219 -0.925 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 t -151.99 138.04 18.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.98 . . . . 0.0 110.433 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.81 144.3 48.9 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.285 -0.885 . . . . 0.0 109.957 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -126.96 143.47 51.28 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.154 -0.966 . . . . 0.0 110.461 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.838 HG22 ' H ' ' B' ' 11' ' ' GLY . 4.1 mp -140.62 145.21 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.339 -0.851 . . . . 0.0 110.061 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -107.81 20.66 18.49 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 110.19 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.838 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -127.47 130.06 6.66 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttt-85 -76.56 -34.43 58.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -1.161 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.52 -36.07 77.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 110.197 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.471 ' CD ' ' HA3' ' B' ' 11' ' ' GLY . 0.0 OUTLIER -82.38 -45.61 14.63 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.214 -0.928 . . . . 0.0 110.035 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.521 ' CZ ' ' HD3' ' B' ' 19' ' ' ARG . 81.3 t80 -47.9 -52.43 19.37 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.252 -0.905 . . . . 0.0 110.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 15' ' ' PHE . 6.7 mm-40 -43.16 -37.39 2.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.757 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.516 ' OE1' HD21 ' A' ' 25' ' ' LEU . 2.8 mm-40 -68.62 -50.95 47.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.418 -0.801 . . . . 0.0 110.086 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.2 m-85 -66.17 -57.1 8.37 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.877 . . . . 0.0 110.239 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.521 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 9.2 tpt180 -43.75 -64.9 0.57 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.179 -0.95 . . . . 0.0 109.715 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.93 -43.48 49.85 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.26 -0.9 . . . . 0.0 109.459 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -64.12 -41.67 97.15 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.296 -0.878 . . . . 0.0 109.556 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 52.0 t30 -46.25 -44.4 16.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.314 -0.866 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.0 -44.85 75.66 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.416 -0.802 . . . . 0.0 109.804 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.49 -56.3 17.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.368 -0.833 . . . . 0.0 109.925 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.645 HD21 ' OE1' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -59.53 -39.54 84.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.306 -0.871 . . . . 0.0 109.901 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 64.5 tt0 -51.75 -37.75 52.52 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 109.636 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.3 mt -76.17 -33.79 59.35 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.381 -0.825 . . . . 0.0 109.938 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 6.7 tptt -52.99 -51.8 60.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 110.017 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' B' ' 31' ' ' GLN . 0.2 OUTLIER -76.7 -56.84 4.24 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.897 . . . . 0.0 110.201 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.6 -27.22 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.299 -0.876 . . . . 0.0 110.249 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.477 ' O ' ' HB3' ' B' ' 32' ' ' ALA . 1.0 OUTLIER -118.29 113.66 21.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 110.207 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 31' ' ' GLN . . . 57.27 -142.21 0.74 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.262 -0.899 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.15 -38.58 2.19 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.243 -1.151 . . . . 0.0 110.255 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.254 0.55 . . . . 0.0 110.236 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.81 -114.55 0.83 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.15 53.89 1.46 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.208 -1.172 . . . . 0.0 110.228 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' B' ' 10' ' ' ARG . 1.4 m-85 -132.64 138.43 47.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.298 -0.876 . . . . 0.0 110.207 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 23.7 m-85 -119.48 154.65 33.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.154 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 4.8 m -148.07 155.49 41.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -140.34 149.18 42.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.293 -0.879 . . . . 0.0 110.234 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -127.1 133.09 50.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.269 -0.895 . . . . 0.0 110.107 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.69 158.94 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.333 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.573 ' HB3' ' CE2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -115.69 37.76 3.51 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.252 -0.905 . . . . 0.0 110.097 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.74 141.88 8.12 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HB2' ' CZ ' ' B' ' 5' ' ' PHE . 66.5 ttt180 -81.89 -30.97 31.69 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.247 -1.149 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.69 -35.68 81.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.274 -0.891 . . . . 0.0 110.372 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HA ' HD12 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.25 -45.05 14.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.159 -0.963 . . . . 0.0 109.548 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.501 ' CE1' HD12 ' B' ' 7' ' ' LEU . 56.0 t80 -61.21 -49.4 77.3 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.362 -0.836 . . . . 0.0 110.034 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 1.8 mm-40 -43.28 -39.67 3.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.35 -0.844 . . . . 0.0 109.775 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -67.59 -45.8 74.48 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.318 -0.864 . . . . 0.0 109.803 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 14.1 m-30 -64.14 -51.0 65.98 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.279 -0.888 . . . . 0.0 110.143 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.1 ttt-85 -46.81 -63.54 1.0 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.72 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -49.03 -42.7 39.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.522 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.576 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.5 mtt180 -64.06 -44.77 91.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.365 -0.834 . . . . 0.0 109.693 179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 1.8 t-20 -43.97 -46.84 8.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.304 -0.873 . . . . 0.0 109.28 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.29 -53.1 60.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.35 -0.844 . . . . 0.0 109.512 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.13 -54.35 48.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.315 -0.865 . . . . 0.0 109.602 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' B' ' 14' ' ' ARG . 3.2 mm? -50.38 -45.47 55.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.323 -0.861 . . . . 0.0 109.553 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.24 -46.93 36.1 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.352 -0.842 . . . . 0.0 109.545 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.8 tp -73.18 -36.6 66.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.878 . . . . 0.0 109.976 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 10.6 tptp -50.68 -54.78 20.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.327 -0.858 . . . . 0.0 110.155 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -32.43 68.84 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.262 -0.899 . . . . 0.0 110.23 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.93 0.07 16.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.271 -0.893 . . . . 0.0 110.167 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -120.29 -40.75 2.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.337 -0.852 . . . . 0.0 110.222 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.47 -21.88 30.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.241 -0.912 . . . . 0.0 110.227 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.61 126.75 1.67 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.199 -1.177 . . . . 0.0 110.218 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.282 0.563 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.77 -114.61 0.83 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.02 53.92 1.47 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.309 -1.112 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 10' ' ' ARG . 1.3 m-85 -132.6 138.77 47.51 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 23.3 m-85 -119.84 154.38 34.4 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.267 -0.896 . . . . 0.0 110.157 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 5.2 m -147.94 155.41 41.54 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.21 -0.931 . . . . 0.0 110.244 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -140.29 149.08 42.36 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 110.235 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 30.8 mt-30 -126.96 133.16 50.66 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.897 . . . . 0.0 110.112 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.79 158.83 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.253 -0.905 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.548 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -115.61 37.7 3.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.65 141.81 8.08 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 66.5 ttt180 -81.84 -31.64 31.53 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.179 -1.189 . . . . 0.0 110.238 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.82 -36.56 84.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.224 -0.922 . . . . 0.0 110.173 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.66 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -82.59 -45.38 14.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.146 -0.971 . . . . 0.0 109.889 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 7' ' ' LEU . 55.9 t80 -61.17 -49.04 78.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.311 -0.868 . . . . 0.0 109.985 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.8 mm-40 -43.45 -38.65 2.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.421 ' O ' ' HD2' ' B' ' 21' ' ' ARG . 1.2 mm100 -68.86 -44.88 72.42 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.309 -0.869 . . . . 0.0 109.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CE1' ' HG ' ' A' ' 25' ' ' LEU . 14.5 m-30 -65.47 -49.86 67.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.939 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 12.6 ttt-85 -47.54 -62.91 1.21 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.184 -0.948 . . . . 0.0 109.542 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -49.77 -42.21 46.03 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.232 -0.917 . . . . 0.0 109.556 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.589 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.5 mtt180 -64.23 -44.81 90.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.381 -0.824 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 1.8 t-20 -43.64 -46.48 7.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.236 -0.915 . . . . 0.0 109.436 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -52.87 61.45 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.436 -0.79 . . . . 0.0 109.537 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -54.45 46.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.276 -0.89 . . . . 0.0 109.642 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.69 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.1 mm? -50.12 -45.55 52.96 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.333 -0.854 . . . . 0.0 109.66 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -48.48 -45.69 37.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.304 -0.872 . . . . 0.0 109.672 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.7 tp -74.41 -36.68 63.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.853 . . . . 0.0 109.791 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 10.4 tptp -50.51 -54.65 20.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.341 -0.849 . . . . 0.0 110.062 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -32.22 67.99 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.25 -0.907 . . . . 0.0 110.177 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.11 17.42 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.218 -0.926 . . . . 0.0 110.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER -120.33 -40.58 2.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.288 -0.882 . . . . 0.0 110.228 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.65 -21.8 30.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.49 126.83 1.69 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.298 -1.119 . . . . 0.0 110.206 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.298 0.57 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.62 -103.14 0.12 Allowed Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -131.53 -170.78 2.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.22 -1.165 . . . . 0.0 110.22 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 33.3 p90 -155.67 177.79 10.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.234 -0.916 . . . . 0.0 110.214 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.92 161.49 20.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.1 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.522 HG23 ' O ' ' B' ' 7' ' ' LEU . 3.4 m -140.35 162.72 34.63 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 110.18 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -139.15 153.03 47.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.312 -0.867 . . . . 0.0 110.1 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -127.99 124.34 36.98 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 110.311 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.726 HD11 HD23 ' A' ' 7' ' ' LEU . 2.7 mp -122.23 147.76 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.112 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 2.4 ptt180 -110.59 48.9 0.88 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.161 -0.962 . . . . 0.0 110.217 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.82 140.63 5.78 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' GLU . 3.9 ttp180 -79.25 -56.0 4.67 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.274 -1.133 . . . . 0.0 110.277 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -43.34 -38.21 2.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.181 -0.949 . . . . 0.0 110.276 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' HE ' HG23 ' A' ' 9' ' ' ILE . 14.0 ttp-105 -82.73 -44.79 15.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.227 -0.921 . . . . 0.0 109.191 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.508 ' CZ ' ' HD2' ' A' ' 19' ' ' ARG . 15.8 t80 -60.06 -53.72 54.41 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.386 -0.821 . . . . 0.0 109.668 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.1 mm-40 -42.88 -39.7 2.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 109.814 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 10.7 mm-40 -61.88 -48.4 80.67 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.713 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.646 ' CZ ' HD12 ' B' ' 25' ' ' LEU . 18.5 m-85 -67.18 -50.89 59.42 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.206 -0.934 . . . . 0.0 109.95 179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HD2' ' CZ ' ' A' ' 15' ' ' PHE . 1.1 ttt180 -43.89 -72.58 0.06 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.16 -0.962 . . . . 0.0 110.023 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' ARG . 51.6 mt-10 -44.63 -51.36 9.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 8.3 tpt180 -55.71 -41.37 73.73 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.884 . . . . 0.0 109.509 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.608 ' ND2' HD21 ' B' ' 7' ' ' LEU . 26.4 t-20 -47.13 -49.2 22.63 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.291 -0.881 . . . . 0.0 109.473 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 26' ' ' GLU . 73.5 tt0 -59.44 -51.53 69.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.264 -0.898 . . . . 0.0 109.611 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.62 35.62 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.264 -0.897 . . . . 0.0 109.774 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.663 HD12 ' CZ ' ' B' ' 18' ' ' PHE . 2.1 mt -63.74 -29.84 71.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.867 . . . . 0.0 109.725 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 31.7 tt0 -52.72 -47.59 67.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.236 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -40.12 78.5 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.383 -0.823 . . . . 0.0 109.61 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HD2' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -47.1 -52.38 15.39 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.34 -0.85 . . . . 0.0 109.946 179.713 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.43 ' HB2' ' NH1' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -67.41 -36.73 81.84 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.238 -0.914 . . . . 0.0 110.017 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.93 -22.84 65.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.281 -0.887 . . . . 0.0 110.037 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 1.7 mm100 -102.77 -82.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 110.21 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB3' ' HD2' ' A' ' 28' ' ' LYS . . . -57.09 86.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.243 -0.91 . . . . 0.0 110.171 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -111.53 155.22 16.29 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.195 -1.18 . . . . 0.0 110.169 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.239 0.542 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.57 -103.03 0.11 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -131.56 -170.81 2.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.218 -1.166 . . . . 0.0 110.246 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 33.2 p90 -155.79 177.4 11.44 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -0.91 . . . . 0.0 110.217 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' ILE . 64.5 m-85 -118.5 161.77 19.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.251 -0.906 . . . . 0.0 110.094 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 7' ' ' LEU . 3.2 m -140.83 162.76 34.67 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.722 HD23 HD11 ' B' ' 9' ' ' ILE . 0.6 OUTLIER -139.06 153.44 48.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.255 -0.903 . . . . 0.0 110.164 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.43 123.93 34.99 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.226 -0.921 . . . . 0.0 110.327 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.722 HD11 HD23 ' B' ' 7' ' ' LEU . 2.7 mp -122.02 147.6 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.234 -0.916 . . . . 0.0 110.127 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.402 ' HA ' ' HB2' ' A' ' 4' ' ' TYR . 2.4 ptt180 -110.4 49.11 0.87 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.229 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.79 140.58 5.76 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.0 ttp180 -79.37 -56.05 4.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.279 -1.13 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' B' ' 12' ' ' ARG . 0.0 OUTLIER -43.09 -40.28 3.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.231 -0.918 . . . . 0.0 109.87 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.516 ' HE ' HG23 ' B' ' 9' ' ' ILE . 13.8 ttp-105 -80.5 -44.97 18.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.305 -0.872 . . . . 0.0 109.626 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' B' ' 19' ' ' ARG . 15.1 t80 -60.56 -52.99 62.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.908 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.0 mm-40 -43.19 -39.19 2.8 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.373 -0.829 . . . . 0.0 109.846 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 10.7 mm-40 -62.05 -48.35 80.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.302 -0.874 . . . . 0.0 109.96 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.663 ' CZ ' HD12 ' A' ' 25' ' ' LEU . 20.2 m-85 -68.15 -49.4 61.25 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.241 -0.912 . . . . 0.0 109.856 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.493 ' HD2' ' CZ ' ' B' ' 15' ' ' PHE . 1.1 ttt180 -44.74 -72.2 0.06 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 109.701 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 19' ' ' ARG . 51.4 mt-10 -45.01 -51.24 10.12 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.542 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 8.1 tpt180 -55.71 -41.1 73.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.298 -0.876 . . . . 0.0 109.605 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.607 ' ND2' HD21 ' A' ' 7' ' ' LEU . 25.3 t-20 -47.08 -49.03 22.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.593 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' B' ' 26' ' ' GLU . 73.2 tt0 -59.8 -50.88 72.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.375 -0.828 . . . . 0.0 109.626 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.96 47.52 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 109.782 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.646 HD12 ' CZ ' ' A' ' 18' ' ' PHE . 2.1 mt -64.34 -29.62 70.69 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.267 -0.895 . . . . 0.0 109.737 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' B' ' 23' ' ' GLU . 32.0 tt0 -53.05 -46.78 68.67 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.188 -0.945 . . . . 0.0 109.366 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 -39.65 75.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.446 -0.784 . . . . 0.0 109.574 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.466 ' HD2' ' HB3' ' B' ' 32' ' ' ALA . 0.0 OUTLIER -47.3 -52.47 16.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.349 -0.844 . . . . 0.0 109.812 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.436 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -67.47 -36.5 81.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.343 -0.848 . . . . 0.0 110.086 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.72 65.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.289 -0.882 . . . . 0.0 110.053 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' B' ' 33' ' ' GLY . 1.6 mm100 -102.83 -82.25 0.49 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.466 ' HB3' ' HD2' ' B' ' 28' ' ' LYS . . . -56.96 86.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -0.925 . . . . 0.0 110.196 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . -111.58 155.18 16.32 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.26 -1.141 . . . . 0.0 110.205 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.26 0.552 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.6 178.39 38.38 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.11 107.48 1.24 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.265 -1.138 . . . . 0.0 110.169 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -137.33 -176.2 4.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.76 164.29 22.47 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.278 -0.889 . . . . 0.0 110.126 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 65.7 m -152.51 150.42 29.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.302 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD13 ' CE1' ' B' ' 15' ' ' PHE . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.35 -0.844 . . . . 0.0 110.081 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 3.0 mt-30 -122.62 134.25 54.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.177 -0.952 . . . . 0.0 110.298 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.828 HD13 ' HD1' ' A' ' 15' ' ' PHE . 2.9 mp -119.17 158.25 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.226 -0.921 . . . . 0.0 110.113 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.95 -9.86 9.99 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.199 -0.938 . . . . 0.0 110.109 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.455 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -118.1 141.28 16.14 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 12.8 ttt180 -82.76 -32.95 27.56 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.327 -1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -56.46 -43.25 79.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.25 -0.906 . . . . 0.0 110.448 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.717 ' CB ' HD12 ' B' ' 25' ' ' LEU . 2.8 ptm180 -82.74 -37.76 24.2 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.599 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.828 ' HD1' HD13 ' A' ' 9' ' ' ILE . 65.8 t80 -56.6 -50.89 70.64 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.288 -0.882 . . . . 0.0 109.575 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.86 -38.89 4.91 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.319 -0.863 . . . . 0.0 109.617 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 2.8 mm-40 -63.46 -46.99 83.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.347 -0.845 . . . . 0.0 109.706 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 15.0 m-30 -67.48 -51.5 50.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.6 tpt85 -42.48 -65.97 0.41 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.175 -0.953 . . . . 0.0 109.994 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -51.57 -36.28 44.68 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.164 -0.96 . . . . 0.0 109.523 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.1 OUTLIER -64.36 -51.04 65.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.376 -0.827 . . . . 0.0 109.63 179.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' ARG . 6.0 t-20 -44.56 -49.65 10.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.282 -0.886 . . . . 0.0 109.483 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.11 -56.52 17.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.387 -0.82 . . . . 0.0 109.778 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.93 -49.01 79.44 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.285 -0.884 . . . . 0.0 109.903 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD12 ' CB ' ' B' ' 14' ' ' ARG . 2.7 mm? -62.32 -38.1 88.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.254 -0.904 . . . . 0.0 109.823 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.96 -50.0 58.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.348 -0.845 . . . . 0.0 109.811 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -70.46 -32.38 69.91 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.348 -0.845 . . . . 0.0 109.94 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 13.3 tptt -59.7 -40.22 87.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.909 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' B' ' 14' ' ' ARG . 0.3 OUTLIER -77.59 -47.61 18.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.316 -0.865 . . . . 0.0 110.072 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.15 -28.94 2.0 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.321 -0.862 . . . . 0.0 110.077 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -75.48 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.0 110.219 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.87 64.52 5.53 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.266 -0.896 . . . . 0.0 110.196 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.84 -9.89 60.24 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptt . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.214 -1.168 . . . . 0.0 110.206 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.294 0.568 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.6 178.4 38.37 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -162.07 107.55 1.25 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -1.136 . . . . 0.0 110.187 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.4 -176.2 4.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.258 -0.901 . . . . 0.0 110.197 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -127.72 164.31 22.4 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.3 -0.875 . . . . 0.0 110.151 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 63.8 m -152.43 150.41 29.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 110.301 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.488 HD13 ' CE1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -137.91 152.14 48.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.294 -0.879 . . . . 0.0 110.049 179.903 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 3.0 mt-30 -122.58 134.34 54.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.176 -0.953 . . . . 0.0 110.361 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.814 HD13 ' HD1' ' B' ' 15' ' ' PHE . 2.8 mp -119.25 158.11 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 121.295 -0.878 . . . . 0.0 110.146 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.93 -9.6 10.05 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.209 -0.932 . . . . 0.0 110.164 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.459 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -118.26 141.42 16.19 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -82.86 -33.53 27.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.237 -1.155 . . . . 0.0 110.232 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -55.69 -44.98 77.85 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.222 -0.924 . . . . 0.0 110.139 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.79 ' CB ' HD12 ' A' ' 25' ' ' LEU . 2.7 ptm180 -81.0 -38.19 27.96 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.297 -0.877 . . . . 0.0 109.963 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.814 ' HD1' HD13 ' B' ' 9' ' ' ILE . 65.1 t80 -56.29 -50.81 70.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.151 -0.968 . . . . 0.0 109.694 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' B' ' 15' ' ' PHE . 13.8 mm-40 -44.77 -38.62 4.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.262 -0.899 . . . . 0.0 109.78 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 2.8 mm-40 -63.81 -46.4 85.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 15.1 m-30 -68.8 -49.81 55.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.254 -0.904 . . . . 0.0 110.002 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.4 tpt85 -43.64 -65.25 0.52 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.18 -0.95 . . . . 0.0 109.814 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.25 -35.51 50.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.557 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -64.95 -50.76 65.14 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.33 -0.856 . . . . 0.0 109.645 179.58 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' B' ' 21' ' ' ARG . 5.9 t-20 -44.77 -49.55 10.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.242 -0.911 . . . . 0.0 109.529 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.24 -56.37 19.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.388 -0.82 . . . . 0.0 109.748 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.19 78.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.297 -0.877 . . . . 0.0 109.793 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.717 HD12 ' CB ' ' A' ' 14' ' ' ARG . 2.7 mm? -61.97 -38.09 87.24 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.854 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -51.16 -49.52 60.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.322 -0.861 . . . . 0.0 109.875 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.01 -32.21 68.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.321 -0.862 . . . . 0.0 109.84 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.9 tptt -59.71 -40.11 86.84 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.368 -0.833 . . . . 0.0 109.87 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.424 ' OD1' ' HB3' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -77.77 -47.6 18.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.275 -0.891 . . . . 0.0 110.124 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.24 -28.85 2.08 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 110.122 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -75.49 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.81 64.56 5.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.271 -0.893 . . . . 0.0 110.143 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.04 -9.69 60.5 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.272 -1.134 . . . . 0.0 110.211 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.266 0.555 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.04 139.74 2.84 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -110.51 168.53 9.39 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.258 -1.142 . . . . 0.0 110.021 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 5.9 p90 -140.24 -171.83 3.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 110.197 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' HB3' ' CD2' ' B' ' 15' ' ' PHE . 40.6 m-85 -118.85 178.88 4.32 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 110.213 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 98.6 m -157.49 155.7 30.8 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' B' ' 18' ' ' PHE . 0.9 OUTLIER -137.21 163.23 31.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.26 -0.9 . . . . 0.0 110.244 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' B' ' 6' ' ' THR . 24.8 mt-30 -136.36 133.83 37.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.286 -0.884 . . . . 0.0 110.071 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 15' ' ' PHE . 3.2 mp -118.63 163.59 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.18 -0.95 . . . . 0.0 110.106 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' N ' HG22 ' A' ' 9' ' ' ILE . 16.5 ttt-85 -128.44 -0.04 5.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.262 -0.899 . . . . 0.0 110.383 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.569 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -135.32 143.89 15.63 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -75.39 -39.42 59.14 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.254 -1.145 . . . . 0.0 110.201 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -53.5 -40.48 65.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.213 -0.93 . . . . 0.0 110.247 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HA ' HD12 ' B' ' 25' ' ' LEU . 4.2 mtp180 -83.08 -47.28 11.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.267 -0.896 . . . . 0.0 109.286 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.631 ' HB2' HG21 ' A' ' 9' ' ' ILE . 50.6 t80 -47.86 -48.01 31.37 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.498 -0.751 . . . . 0.0 109.647 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' PHE . 1.2 mm-40 -44.98 -39.72 5.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.347 -0.846 . . . . 0.0 109.587 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -66.28 -48.51 70.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.587 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.7 m-85 -63.02 -59.1 5.27 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.283 -0.886 . . . . 0.0 110.182 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 15' ' ' PHE . 12.1 tpt85 -43.33 -69.17 0.15 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.12 -0.987 . . . . 0.0 110.017 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 19' ' ' ARG . 7.3 tt0 -43.8 -41.45 5.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.294 -0.879 . . . . 0.0 109.609 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.605 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 1.1 mpt_? -67.29 -43.75 80.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.341 -0.85 . . . . 0.0 109.657 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' HB2' HD21 ' B' ' 7' ' ' LEU . 6.9 t-20 -44.71 -41.54 6.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.336 -0.852 . . . . 0.0 109.465 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -76.55 -50.2 14.52 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.362 -0.836 . . . . 0.0 109.925 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.49 -48.74 79.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.334 -0.854 . . . . 0.0 109.838 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.9 mm? -60.12 -41.11 91.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.839 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.44 -46.85 56.83 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.736 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -74.55 -35.98 63.1 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.246 -0.909 . . . . 0.0 109.939 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 1.8 tptt -47.87 -46.73 31.68 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.307 -0.871 . . . . 0.0 110.077 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.11 -30.0 31.41 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -75.68 -8.04 55.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.324 -0.86 . . . . 0.0 110.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.553 ' HG3' HD23 ' A' ' 27' ' ' LEU . 24.6 mt-30 -85.51 -62.43 1.53 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.304 -0.872 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.49 -67.51 0.84 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.204 -0.935 . . . . 0.0 110.203 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 101.86 -46.04 1.31 Allowed Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 33' ' ' GLY . 11.9 mtmm . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.268 -1.136 . . . . 0.0 110.229 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.186 0.517 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.88 139.03 2.65 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -109.71 168.64 9.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -1.137 . . . . 0.0 110.214 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 6.3 p90 -140.58 -172.35 3.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.245 -0.909 . . . . 0.0 110.159 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.5 ' HB3' ' CE2' ' A' ' 15' ' ' PHE . 40.2 m-85 -118.37 179.37 4.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.256 -0.903 . . . . 0.0 110.252 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 8' ' ' GLN . 94.7 m -158.15 156.02 30.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.909 . . . . 0.0 110.142 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 18' ' ' PHE . 0.9 OUTLIER -137.46 163.2 31.67 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.344 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 24.5 mt-30 -136.3 132.56 35.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.293 -0.879 . . . . 0.0 110.171 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' B' ' 15' ' ' PHE . 3.2 mp -117.32 163.69 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.263 -0.898 . . . . 0.0 110.16 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.443 ' N ' HG22 ' B' ' 9' ' ' ILE . 16.6 ttt-85 -128.63 0.37 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 110.403 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.586 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -135.9 143.67 15.24 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -75.09 -40.09 60.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.327 -1.102 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.53 -42.15 64.13 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.216 -0.928 . . . . 0.0 109.96 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.454 ' HA ' HD12 ' A' ' 25' ' ' LEU . 4.1 mtp180 -81.43 -48.27 12.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.311 -0.868 . . . . 0.0 109.677 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.62 ' HB2' HG21 ' B' ' 9' ' ' ILE . 51.7 t80 -47.06 -47.72 22.59 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.249 -0.907 . . . . 0.0 109.807 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -45.08 -39.14 5.57 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.869 . . . . 0.0 109.699 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -66.95 -48.66 67.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.358 -0.839 . . . . 0.0 109.95 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.5 m-85 -62.83 -58.68 6.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 110.049 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CZ ' ' B' ' 15' ' ' PHE . 12.1 tpt85 -44.05 -69.06 0.15 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.185 -0.947 . . . . 0.0 109.877 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 19' ' ' ARG . 7.3 tt0 -43.94 -41.33 5.21 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.669 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.587 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 1.1 mpt_? -67.09 -43.47 82.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.372 -0.83 . . . . 0.0 109.716 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 6.7 t-20 -44.89 -41.21 6.95 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.618 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -77.02 -50.63 12.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.408 -0.808 . . . . 0.0 109.761 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.08 -48.87 78.83 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.302 -0.874 . . . . 0.0 109.86 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.9 mm? -60.07 -41.1 91.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.337 -0.852 . . . . 0.0 109.93 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -50.45 -46.09 56.39 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.228 -0.92 . . . . 0.0 109.937 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.531 HD23 ' HG3' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -75.34 -35.74 61.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.87 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 1.7 tptt -48.05 -46.2 33.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.294 -0.878 . . . . 0.0 109.994 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.83 -29.6 29.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -0.895 . . . . 0.0 110.112 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' B' ' 27' ' ' LEU . . . -76.15 -8.09 56.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.23 -0.919 . . . . 0.0 110.238 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.531 ' HG3' HD23 ' B' ' 27' ' ' LEU . 24.7 mt-30 -85.33 -62.49 1.52 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.239 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -89.44 -67.54 0.83 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.271 -0.893 . . . . 0.0 110.231 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' B' ' 34' ' ' LYS . . . 101.79 -45.93 1.33 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' B' ' 33' ' ' GLY . 11.9 mtmm . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.272 -1.134 . . . . 0.0 110.197 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.231 0.539 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.08 72.14 0.06 OUTLIER Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -110.06 10.24 24.09 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.248 -1.148 . . . . 0.0 110.21 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -123.36 177.15 5.74 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.2 -0.938 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' O ' ' O ' ' B' ' 9' ' ' ILE . 97.9 m-85 -122.7 176.72 5.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 0.0 110.159 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.3 m -153.91 163.84 39.39 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.287 -0.883 . . . . 0.0 110.138 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' C ' ' HG2' ' A' ' 8' ' ' GLN . 2.6 mt -150.89 167.18 28.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.184 -0.947 . . . . 0.0 110.288 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.4 ' HG2' ' C ' ' A' ' 7' ' ' LEU . 2.1 mt-30 -129.36 132.87 47.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.252 -0.905 . . . . 0.0 110.129 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.471 HG12 ' CE2' ' A' ' 18' ' ' PHE . 5.2 mt -119.57 157.83 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.238 -0.914 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -136.86 89.64 2.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 110.222 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 138.93 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -43.75 -50.86 7.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.246 -1.149 . . . . 0.0 110.233 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 12' ' ' ARG . 1.4 mt-10 -42.6 -43.81 3.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.275 -0.89 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.927 ' CB ' HD12 ' B' ' 25' ' ' LEU . 0.1 OUTLIER -82.58 -38.58 23.44 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.225 -0.922 . . . . 0.0 109.331 179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -53.52 -48.13 69.31 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.334 -0.854 . . . . 0.0 109.461 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -45.66 -34.16 3.33 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.331 -0.855 . . . . 0.0 109.2 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 54.2 mm-40 -69.35 -46.92 65.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.371 -0.831 . . . . 0.0 109.608 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.477 ' CE1' ' HG2' ' B' ' 21' ' ' ARG . 96.3 m-85 -69.58 -57.45 5.18 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.32 -0.863 . . . . 0.0 109.951 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 18' ' ' PHE . 19.4 tpt180 -42.83 -64.04 0.69 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.905 . . . . 0.0 109.763 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -47.94 -44.02 29.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.182 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -61.05 -37.1 81.43 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.366 -0.834 . . . . 0.0 109.468 179.255 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.0 t-20 -54.92 -58.86 5.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.384 -0.822 . . . . 0.0 109.561 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.51 -40.2 36.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.204 -0.935 . . . . 0.0 109.218 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . -56.7 -47.34 80.15 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.434 -0.791 . . . . 0.0 109.511 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.922 HD12 ' CB ' ' B' ' 14' ' ' ARG . 0.8 OUTLIER -51.06 -43.94 61.05 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.312 -0.868 . . . . 0.0 109.34 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.7 tt0 -54.62 -53.53 53.54 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.361 -0.837 . . . . 0.0 109.723 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.41 -34.95 70.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.344 -0.848 . . . . 0.0 109.894 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 15.6 tppt? -58.79 -35.02 72.14 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 109.907 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.56 -52.52 11.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.326 -0.859 . . . . 0.0 110.041 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.74 -8.64 37.2 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.338 -0.851 . . . . 0.0 110.224 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -60.0 2.7 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.202 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.59 -50.54 2.97 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.297 -0.877 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.84 -163.45 50.21 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.228 -1.16 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.224 0.535 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.98 72.13 0.06 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -109.94 10.02 24.37 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.253 -1.146 . . . . 0.0 110.196 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -123.23 177.11 5.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.325 -0.859 . . . . 0.0 110.269 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' ILE . 98.0 m-85 -122.67 176.55 5.89 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.277 -0.889 . . . . 0.0 110.204 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 11.0 m -153.76 163.78 39.44 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.402 ' C ' ' HG2' ' B' ' 8' ' ' GLN . 2.6 mt -150.82 167.06 28.6 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.17 -0.956 . . . . 0.0 110.317 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' B' ' 7' ' ' LEU . 2.1 mt-30 -129.27 132.62 47.22 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.281 -0.887 . . . . 0.0 110.11 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' B' ' 18' ' ' PHE . 5.2 mt -119.45 157.71 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.273 -0.892 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -136.76 89.89 2.49 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.242 -0.911 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' B' ' 12' ' ' ARG . . . 138.91 105.71 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -43.79 -50.8 7.66 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.206 -1.173 . . . . 0.0 110.22 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 12' ' ' ARG . 1.4 mt-10 -42.61 -45.36 4.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.922 ' CB ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -80.79 -38.85 27.77 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.235 -0.916 . . . . 0.0 109.73 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 67.2 t80 -53.37 -48.14 68.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.253 -0.904 . . . . 0.0 109.63 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 2.8 mm-40 -45.43 -33.63 2.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.31 -0.869 . . . . 0.0 109.419 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 54.1 mm-40 -69.96 -46.76 64.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.405 -0.809 . . . . 0.0 109.619 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.478 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 94.9 m-85 -70.03 -56.59 6.56 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.824 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' B' ' 18' ' ' PHE . 19.3 tpt180 -43.67 -63.89 0.76 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.26 -0.9 . . . . 0.0 109.63 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -48.14 -43.58 31.4 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.28 -0.888 . . . . 0.0 109.18 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.559 ' O ' ' HB3' ' B' ' 24' ' ' ALA . 0.2 OUTLIER -61.71 -36.82 82.03 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.459 -0.776 . . . . 0.0 109.45 179.317 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -54.67 -59.14 5.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 109.545 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -49.32 -40.15 33.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.252 -0.905 . . . . 0.0 109.293 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' B' ' 21' ' ' ARG . . . -56.89 -46.95 81.56 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.498 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.927 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.8 OUTLIER -51.35 -43.31 61.76 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 179.316 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.509 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.7 tt0 -55.28 -53.18 59.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.387 -0.82 . . . . 0.0 109.618 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.77 -34.77 69.74 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.325 -0.859 . . . . 0.0 109.748 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' B' ' 28' ' ' LYS . 15.4 tppt? -58.95 -34.79 72.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.308 -0.87 . . . . 0.0 109.9 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.97 -52.65 10.61 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -0.833 . . . . 0.0 109.994 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.63 -8.67 36.57 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.286 -0.884 . . . . 0.0 110.222 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -59.92 2.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 110.225 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -109.64 -50.63 2.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.303 -0.873 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.94 -163.44 50.51 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.305 -1.115 . . . . 0.0 110.133 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.216 0.531 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.08 -87.44 2.0 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.99 19.26 15.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.237 -1.155 . . . . 0.0 110.241 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -140.29 166.57 24.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.196 -0.94 . . . . 0.0 110.249 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -119.21 -174.9 2.81 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.312 -0.868 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.4 m -157.42 153.34 27.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' B' ' 15' ' ' PHE . 0.6 OUTLIER -142.65 155.82 44.98 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.243 -0.911 . . . . 0.0 110.22 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -118.67 140.08 50.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 110.133 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.466 HG21 ' HB2' ' A' ' 15' ' ' PHE . 15.2 mm -120.99 168.26 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.286 -0.884 . . . . 0.0 110.306 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.474 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -149.34 29.69 0.78 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.291 -0.881 . . . . 0.0 110.316 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.09 115.1 0.64 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 9.2 ttp180 -62.42 -30.12 70.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -1.124 . . . . 0.0 110.212 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -58.06 -55.05 40.01 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.808 ' CB ' HD12 ' B' ' 25' ' ' LEU . 17.6 ptt180 -82.6 -34.22 27.72 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.2 -0.937 . . . . 0.0 109.514 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.641 ' CE1' HD12 ' B' ' 7' ' ' LEU . 82.9 t80 -54.9 -55.49 30.01 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.315 -0.866 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.0 mm-40 -43.58 -35.18 1.62 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.815 . . . . 0.0 109.659 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 17.8 mt-30 -67.47 -42.97 82.12 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.343 -0.848 . . . . 0.0 109.906 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -74.92 -54.5 7.13 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.312 -0.867 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 58.9 ttt180 -44.85 -63.11 0.99 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.151 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -52.62 -46.47 67.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.201 -0.937 . . . . 0.0 110.063 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 22' ' ' ASN . 13.4 mmt180 -65.68 -42.9 90.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.93 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 5.1 t-20 -44.53 -48.46 10.2 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.74 -51.67 63.87 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.419 -0.801 . . . . 0.0 109.358 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.55 -47.88 80.84 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.372 -0.83 . . . . 0.0 109.204 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.803 HD12 ' CB ' ' B' ' 14' ' ' ARG . 1.1 mm? -61.57 -38.44 87.54 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.378 -0.826 . . . . 0.0 109.292 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.26 -43.85 43.26 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.35 -0.843 . . . . 0.0 109.236 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' GLN . 2.0 tp -69.21 -36.61 77.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.383 -0.823 . . . . 0.0 109.872 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 3.6 tptp -56.25 -53.51 56.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.373 -0.829 . . . . 0.0 110.062 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' B' ' 13' ' ' GLU . 1.3 m-20 -72.4 -66.31 0.67 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.298 -0.876 . . . . 0.0 110.154 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' ASP . . . -42.77 -31.82 0.53 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.295 -0.878 . . . . 0.0 110.184 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' O ' ' N ' ' A' ' 33' ' ' GLY . 70.3 mt-30 -151.87 109.91 3.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.194 -0.941 . . . . 0.0 110.017 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -42.22 94.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 0.0 110.205 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . -78.58 113.56 3.72 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.609 -1.397 . . . . 0.0 109.609 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.249 -1.147 . . . . 0.0 110.192 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.278 0.561 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.9 -87.39 2.0 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.08 19.41 14.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.219 -1.165 . . . . 0.0 110.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -140.47 166.92 23.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 110.206 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -119.6 -174.81 2.82 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.232 -0.917 . . . . 0.0 110.266 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 55.7 m -157.4 153.5 27.33 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.304 -0.872 . . . . 0.0 110.1 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.641 HD12 ' CE1' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -142.99 154.83 44.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.22 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -117.64 140.64 49.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.275 -0.89 . . . . 0.0 110.086 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.441 HG21 ' HB2' ' B' ' 15' ' ' PHE . 15.2 mm -121.41 168.2 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 110.227 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -149.21 29.71 0.79 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.221 -0.925 . . . . 0.0 110.276 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -158.18 114.89 0.63 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 9.3 ttp180 -62.09 -30.91 71.33 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.289 -1.124 . . . . 0.0 110.124 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.407 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 6.5 mp0 -57.14 -57.11 14.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.254 -0.903 . . . . 0.0 110.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.803 ' CB ' HD12 ' A' ' 25' ' ' LEU . 17.4 ptt180 -80.43 -34.61 35.99 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.21 -0.931 . . . . 0.0 109.893 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.624 ' CE1' HD12 ' A' ' 7' ' ' LEU . 83.6 t80 -54.48 -55.81 25.22 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.178 -0.951 . . . . 0.0 109.822 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.23 -34.76 1.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.37 -0.831 . . . . 0.0 109.885 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 17.9 mt-30 -68.09 -42.0 81.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.375 -0.828 . . . . 0.0 109.965 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -76.63 -52.76 9.07 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.248 -0.907 . . . . 0.0 110.0 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 58.1 ttt180 -46.09 -62.37 1.36 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.183 -0.948 . . . . 0.0 110.038 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -53.44 -45.94 69.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.243 -0.911 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 22' ' ' ASN . 13.4 mmt180 -65.87 -43.11 89.32 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 109.861 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.448 ' HB3' ' O ' ' B' ' 19' ' ' ARG . 5.2 t-20 -44.53 -48.33 10.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.331 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.88 -51.63 63.69 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.27 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.58 -47.8 81.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.29 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.808 HD12 ' CB ' ' A' ' 14' ' ' ARG . 1.1 mm? -61.75 -38.1 86.74 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.401 -0.812 . . . . 0.0 109.366 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -49.67 -42.29 45.02 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.281 -0.887 . . . . 0.0 109.421 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' B' ' 31' ' ' GLN . 2.0 tp -70.71 -36.21 73.11 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.397 -0.814 . . . . 0.0 109.699 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 3.3 tptp -56.42 -53.08 61.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.368 -0.832 . . . . 0.0 110.016 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' B' ' 30' ' ' ALA . 1.3 m-20 -73.04 -66.34 0.69 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.231 -0.918 . . . . 0.0 110.221 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' B' ' 29' ' ' ASP . . . -42.81 -31.64 0.51 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.239 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 33' ' ' GLY . 70.0 mt-30 -152.05 109.57 3.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.291 -0.881 . . . . 0.0 110.119 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' B' ' 31' ' ' GLN . . . -42.14 94.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.2 -0.937 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . -78.88 113.89 3.78 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.208 -1.172 . . . . 0.0 110.141 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.225 0.536 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.28 -133.48 6.52 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.97 128.0 13.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.24 -1.153 . . . . 0.0 110.221 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 51.1 p90 -133.72 165.66 24.44 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.315 -0.866 . . . . 0.0 110.237 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' B' ' 12' ' ' ARG . 61.1 m-85 -120.85 165.58 14.97 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.186 -0.946 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.409 HG23 ' O ' ' B' ' 7' ' ' LEU . 3.7 m -156.69 153.79 29.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.23 -0.918 . . . . 0.0 110.163 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' B' ' 19' ' ' ARG . 1.3 mt -140.79 148.02 39.96 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.289 -0.882 . . . . 0.0 110.191 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.52 134.6 55.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.213 -0.929 . . . . 0.0 110.334 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.531 HG23 ' NH2' ' A' ' 14' ' ' ARG . 2.9 mp -120.47 153.48 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.245 -0.91 . . . . 0.0 110.186 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -107.57 -9.37 15.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.258 -0.901 . . . . 0.0 110.235 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -114.74 123.46 6.01 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.407 ' HB2' ' CE1' ' B' ' 5' ' ' PHE . 42.3 ttt180 -62.27 -47.24 85.22 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.215 -1.168 . . . . 0.0 110.204 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -45.04 -33.78 2.23 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.244 -0.91 . . . . 0.0 110.336 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.531 ' NH2' HG23 ' A' ' 9' ' ' ILE . 20.1 mtp180 -82.75 -40.27 20.73 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.274 -0.891 . . . . 0.0 109.416 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.491 ' CE2' ' HB2' ' A' ' 19' ' ' ARG . 73.6 t80 -61.86 -50.25 73.01 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.441 -0.787 . . . . 0.0 110.0 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' PHE . 19.4 mm-40 -43.52 -39.83 3.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.237 -0.914 . . . . 0.0 109.71 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -66.84 -46.0 76.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.342 -0.849 . . . . 0.0 109.911 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 10.1 m-30 -68.32 -53.14 26.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.274 -0.892 . . . . 0.0 110.233 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 29.5 tpt180 -43.24 -58.11 2.67 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.168 -0.957 . . . . 0.0 109.8 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.79 -42.15 64.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.596 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.551 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -63.55 -48.12 78.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.336 -0.853 . . . . 0.0 109.809 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.444 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 20.7 t-20 -43.0 -51.95 5.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.304 -0.873 . . . . 0.0 109.754 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.51 -50.5 72.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.287 -0.883 . . . . 0.0 109.737 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.21 66.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.275 -0.891 . . . . 0.0 109.685 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.5 mm? -58.36 -35.97 72.77 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.3 -46.11 65.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.268 -0.895 . . . . 0.0 109.389 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 12.1 tp -74.86 -29.27 60.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.402 -0.812 . . . . 0.0 109.927 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.6 OUTLIER -56.6 -61.72 2.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.359 -0.838 . . . . 0.0 109.967 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -27.56 63.32 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.247 -0.908 . . . . 0.0 110.085 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -79.06 -2.29 39.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.094 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 1.5 mt-30 -79.62 -67.05 0.8 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 110.199 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.39 28.42 1.47 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.893 . . . . 0.0 110.171 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.75 -33.13 1.21 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.202 -1.175 . . . . 0.0 110.223 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.213 0.53 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.38 -133.53 6.51 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -147.88 128.18 13.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.172 -1.193 . . . . 0.0 110.238 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -133.71 165.81 24.09 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 110.229 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' B' ' 5' ' ' PHE . 61.9 m-85 -121.01 165.75 14.82 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.201 -0.937 . . . . 0.0 110.261 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m -156.83 153.83 28.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 0.0 110.153 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.428 HD11 ' HD2' ' A' ' 19' ' ' ARG . 1.3 mt -140.83 147.95 39.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.227 -0.92 . . . . 0.0 110.181 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -120.43 134.73 55.22 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.316 -0.865 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.536 HG23 ' NH2' ' B' ' 14' ' ' ARG . 2.9 mp -120.59 153.6 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.306 -0.871 . . . . 0.0 110.048 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -107.59 -10.06 15.76 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.144 -0.972 . . . . 0.0 110.203 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.488 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -114.24 123.52 6.09 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.536 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 42.6 ttt180 -62.08 -47.81 83.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.224 -1.162 . . . . 0.0 110.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 12' ' ' ARG . 2.1 tt0 -43.98 -35.91 2.25 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.267 -0.895 . . . . 0.0 110.018 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.536 ' NH2' HG23 ' B' ' 9' ' ' ILE . 19.7 mtp180 -80.78 -40.48 25.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -0.896 . . . . 0.0 109.895 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' B' ' 19' ' ' ARG . 73.8 t80 -61.84 -50.05 73.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.307 -0.871 . . . . 0.0 110.027 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 19.7 mm-40 -43.35 -39.83 3.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.822 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.06 -45.9 75.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.899 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 10.0 m-30 -68.7 -52.2 33.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.307 -0.871 . . . . 0.0 110.164 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.495 ' HB2' ' CE2' ' B' ' 15' ' ' PHE . 29.5 tpt180 -44.36 -57.02 3.76 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.142 -0.974 . . . . 0.0 109.76 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.99 -41.48 67.96 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.675 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -63.98 -47.98 78.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.404 -0.81 . . . . 0.0 109.857 179.63 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' B' ' 21' ' ' ARG . 20.8 t-20 -43.24 -51.73 6.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.349 -0.844 . . . . 0.0 109.776 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -57.52 -50.32 73.45 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.309 -0.869 . . . . 0.0 109.613 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.23 -52.06 66.83 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.334 -0.854 . . . . 0.0 109.725 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' B' ' 25' ' ' LEU . 2.6 mm? -58.53 -35.47 72.35 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.235 -0.916 . . . . 0.0 109.639 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -52.63 -44.86 66.38 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.432 ' HA ' ' HB3' ' B' ' 30' ' ' ALA . 11.9 tp -76.37 -28.76 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.376 -0.828 . . . . 0.0 109.789 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.475 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -57.06 -60.81 3.05 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.402 -0.811 . . . . 0.0 109.911 179.715 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -72.61 -26.81 61.82 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -0.909 . . . . 0.0 110.021 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' B' ' 27' ' ' LEU . . . -79.74 -2.46 43.15 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.296 -0.877 . . . . 0.0 110.157 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' B' ' 28' ' ' LYS . 1.6 mt-30 -79.42 -66.89 0.81 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.281 -0.887 . . . . 0.0 110.196 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.46 28.35 1.5 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.9 . . . . 0.0 110.223 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.7 -33.13 1.21 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.226 -1.161 . . . . 0.0 110.264 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.258 0.551 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.79 -103.13 0.21 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -107.25 3.72 25.82 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.241 -1.152 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -159.17 -169.85 2.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.256 -0.903 . . . . 0.0 110.334 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 13.7 m-85 -135.16 161.38 35.5 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.312 -0.867 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.1 t -134.48 129.01 34.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.195 -0.941 . . . . 0.0 110.423 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' B' ' 7' ' ' LEU . 1.7 tt -118.94 143.28 47.11 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.275 -0.891 . . . . 0.0 109.975 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -128.55 137.94 51.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.18 -0.95 . . . . 0.0 110.338 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.701 HD13 ' HD1' ' A' ' 15' ' ' PHE . 2.4 mp -130.05 151.73 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 110.118 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 10' ' ' ARG . 12.2 ttt180 -120.58 -1.01 10.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.189 -0.945 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.488 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -112.85 126.74 7.63 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.41 75.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -1.17 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -63.05 -35.27 79.69 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.274 -0.891 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.798 ' HB3' HD12 ' B' ' 25' ' ' LEU . 9.1 mpt_? -82.82 -40.12 20.79 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.238 -0.914 . . . . 0.0 109.316 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.701 ' HD1' HD13 ' A' ' 9' ' ' ILE . 40.1 t80 -51.03 -46.74 61.68 Favored 'General case' 0 C--N 1.305 -1.364 0 C-N-CA 119.478 -0.889 . . . . 0.0 109.056 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.99 -37.45 4.04 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.372 -0.83 . . . . 0.0 109.005 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -65.49 -51.17 61.96 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.47 -0.769 . . . . 0.0 109.423 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' B' ' 21' ' ' ARG . 96.7 m-85 -69.43 -51.99 31.12 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.356 -0.84 . . . . 0.0 109.617 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' PHE . 2.5 tpt180 -43.1 -66.67 0.35 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.274 -0.891 . . . . 0.0 109.712 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ARG . 89.8 mt-10 -44.7 -49.57 10.4 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' B' ' 18' ' ' PHE . 4.5 tpt180 -56.66 -38.2 71.86 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.389 -0.819 . . . . 0.0 109.454 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -52.54 -50.89 61.98 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.374 -0.829 . . . . 0.0 109.357 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -47.28 82.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.364 -0.835 . . . . 0.0 109.39 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.49 -50.3 70.29 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.399 -0.813 . . . . 0.0 109.503 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -46.27 -47.12 18.22 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.552 179.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.801 ' N ' HD23 ' A' ' 25' ' ' LEU . 1.2 tt0 -53.8 -52.44 60.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.408 -0.808 . . . . 0.0 109.703 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -26.14 64.22 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.347 -0.845 . . . . 0.0 109.829 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -74.85 -29.69 61.11 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.296 -0.877 . . . . 0.0 110.005 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.88 -44.77 30.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.984 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -17.43 4.73 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 109.945 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.15 -62.83 1.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.32 -0.863 . . . . 0.0 110.146 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.14 54.17 2.31 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.265 -0.897 . . . . 0.0 110.193 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.5 -148.63 20.98 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.224 -1.162 . . . . 0.0 110.247 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.24 0.543 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.89 -103.24 0.21 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -107.28 3.96 26.03 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -1.153 . . . . 0.0 110.17 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -159.26 -169.59 2.69 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.23 -0.918 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' B' ' 5' ' ' PHE . 13.6 m-85 -135.53 161.22 36.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.273 -0.892 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.404 ' O ' HG23 ' B' ' 6' ' ' THR . 3.1 t -134.43 129.09 34.79 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.165 -0.959 . . . . 0.0 110.429 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . 1.7 tt -118.97 143.42 47.05 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.336 -0.853 . . . . 0.0 109.894 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -128.65 137.85 51.86 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.098 -1.001 . . . . 0.0 110.362 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.703 HD13 ' HD1' ' B' ' 15' ' ' PHE . 2.4 mp -129.86 151.79 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.256 -0.902 . . . . 0.0 110.191 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' B' ' 10' ' ' ARG . 12.0 ttt180 -120.66 -0.55 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.92 . . . . 0.0 110.35 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.48 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -113.31 126.53 7.47 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.66 -37.17 76.62 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.265 -1.138 . . . . 0.0 110.155 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -62.16 -36.82 83.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.192 -0.942 . . . . 0.0 110.042 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' B' ' 14' ' ' ARG . 9.2 mpt_? -81.06 -40.78 23.63 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.908 . . . . 0.0 109.678 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.703 ' HD1' HD13 ' B' ' 9' ' ' ILE . 39.7 t80 -50.63 -46.86 58.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.236 -0.915 . . . . 0.0 109.31 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 15' ' ' PHE . 1.2 mm-40 -44.53 -37.55 3.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.312 -0.868 . . . . 0.0 109.282 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.46 -50.8 63.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.429 -0.794 . . . . 0.0 109.51 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 21' ' ' ARG . 94.8 m-85 -70.31 -50.95 33.97 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.294 -0.879 . . . . 0.0 109.469 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' B' ' 18' ' ' PHE . 2.4 tpt180 -43.79 -66.13 0.42 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.506 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 19' ' ' ARG . 89.5 mt-10 -45.36 -49.08 13.26 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.26 -0.9 . . . . 0.0 109.391 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 4.7 tpt180 -56.92 -37.93 72.17 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.418 -0.801 . . . . 0.0 109.493 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.77 -51.09 62.04 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.357 -0.839 . . . . 0.0 109.323 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.42 -47.17 82.47 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.323 -0.86 . . . . 0.0 109.361 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.07 71.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.382 -0.824 . . . . 0.0 109.457 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.825 HD23 ' N ' ' B' ' 26' ' ' GLU . 0.9 OUTLIER -46.33 -47.12 18.56 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.401 -0.812 . . . . 0.0 109.471 179.4 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.825 ' N ' HD23 ' B' ' 25' ' ' LEU . 1.2 tt0 -53.9 -52.39 60.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.81 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -26.14 64.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.333 -0.854 . . . . 0.0 109.832 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.69 -29.89 61.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.376 -0.827 . . . . 0.0 109.996 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.507 ' OD1' ' NH1' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -76.68 -44.8 32.25 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.265 -0.897 . . . . 0.0 110.011 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.33 -17.41 4.71 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.892 . . . . 0.0 109.981 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -82.19 -62.78 1.53 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.266 -0.896 . . . . 0.0 110.19 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.19 54.09 2.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.217 -0.927 . . . . 0.0 110.244 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.39 -148.59 20.71 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.271 -1.135 . . . . 0.0 110.18 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.486 ' HA ' ' CE1' ' A' ' 4' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.232 0.539 . . . . 0.0 110.175 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.59 -23.55 8.9 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -113.55 -17.74 12.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -1.144 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.486 ' CE1' ' HA ' ' A' ' 1' ' ' ASP . 26.4 p90 -137.23 166.95 22.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 110.251 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -118.88 171.96 7.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.245 -0.91 . . . . 0.0 109.964 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 7' ' ' LEU . 47.1 m -158.83 162.93 37.05 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.141 -0.974 . . . . 0.0 110.4 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' HG23 ' B' ' 6' ' ' THR . 2.0 mt -147.86 165.16 31.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.143 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -126.72 129.83 49.18 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.629 HG23 ' NE ' ' A' ' 14' ' ' ARG . 35.7 mt -126.41 148.1 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 110.278 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -118.42 98.57 6.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.267 -0.895 . . . . 0.0 110.186 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.41 135.79 3.64 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -83.1 -21.0 33.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.283 -1.127 . . . . 0.0 110.26 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -61.47 -48.02 83.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.221 -0.924 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.629 ' NE ' HG23 ' A' ' 9' ' ' ILE . 8.6 ptm180 -83.39 -40.7 19.04 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 109.682 179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' A' ' 14' ' ' ARG . 88.8 t80 -51.04 -49.72 59.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.241 -0.912 . . . . 0.0 109.723 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 3.7 mm-40 -45.43 -36.2 4.21 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.332 -0.855 . . . . 0.0 109.7 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -68.46 -47.22 67.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.302 -0.874 . . . . 0.0 110.048 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.524 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 88.1 m-85 -64.18 -55.34 22.45 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.19 -0.944 . . . . 0.0 110.166 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HD2' HD21 ' B' ' 7' ' ' LEU . 9.2 tpt180 -43.53 -58.44 2.63 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.03 -1.043 . . . . 0.0 110.017 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.36 -48.58 25.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.247 -0.908 . . . . 0.0 109.842 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.602 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 2.9 mmt180 -57.91 -49.86 75.31 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.301 -0.874 . . . . 0.0 109.927 179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 1.7 t30 -40.64 -48.1 2.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.55 -0.719 . . . . 0.0 109.66 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.53 -56.61 16.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.289 -0.882 . . . . 0.0 109.823 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -49.83 76.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.252 -0.905 . . . . 0.0 109.733 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 3.2 mm? -59.49 -44.51 93.05 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 109.677 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -47.39 11.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.171 -0.956 . . . . 0.0 109.268 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.6 mt -66.73 -48.28 69.69 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.77 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CD ' ' HB3' ' A' ' 32' ' ' ALA . 1.4 tppp? -43.03 -36.7 1.67 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.236 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.2 -42.51 23.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.386 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.06 7.89 12.16 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.182 -0.949 . . . . 0.0 110.462 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.5 mt-30 -135.01 -77.48 0.45 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 110.233 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.532 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . . . -69.77 -68.2 0.43 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.275 -0.89 . . . . 0.0 110.185 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' LYS . . . 65.52 78.1 0.24 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.2 mttt . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.266 -1.138 . . . . 0.0 110.278 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.471 ' HA ' ' CE1' ' B' ' 4' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.313 0.578 . . . . 0.0 110.222 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 118.5 -23.56 8.95 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -113.53 -17.76 12.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.257 -1.143 . . . . 0.0 110.237 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.471 ' CE1' ' HA ' ' B' ' 1' ' ' ASP . 26.5 p90 -137.37 166.51 23.65 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.261 -0.899 . . . . 0.0 110.226 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -118.36 172.11 7.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.304 -0.873 . . . . 0.0 109.994 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 7' ' ' LEU . 46.8 m -158.99 162.83 36.81 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.164 -0.96 . . . . 0.0 110.319 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 2.0 mt -147.75 165.33 30.86 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.257 -0.902 . . . . 0.0 110.1 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -126.83 129.49 48.38 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.903 . . . . 0.0 110.073 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.626 HG23 ' NE ' ' B' ' 14' ' ' ARG . 35.2 mt -126.21 147.97 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.241 -0.912 . . . . 0.0 110.307 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.28 98.77 6.46 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.289 -0.882 . . . . 0.0 110.159 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.25 135.53 3.61 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -82.76 -21.63 34.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -1.148 . . . . 0.0 110.232 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -60.9 -48.77 80.3 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.222 -0.924 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.626 ' NE ' HG23 ' B' ' 9' ' ' ILE . 8.4 ptm180 -82.73 -40.66 20.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 110.056 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.477 ' N ' ' CG ' ' B' ' 14' ' ' ARG . 89.2 t80 -51.14 -49.42 60.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.961 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' B' ' 12' ' ' ARG . 3.7 mm-40 -45.36 -36.09 3.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 0.0 OUTLIER -68.54 -46.89 68.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.297 -0.877 . . . . 0.0 110.132 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.602 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 90.2 m-85 -65.36 -53.33 45.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.153 -0.967 . . . . 0.0 110.061 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' B' ' 18' ' ' PHE . 9.5 tpt180 -45.06 -56.7 4.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.136 -0.978 . . . . 0.0 109.805 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.56 -47.58 49.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 109.865 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.524 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.0 mmt180 -58.51 -48.65 80.11 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.937 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' B' ' 26' ' ' GLU . 1.7 t30 -41.99 -47.31 4.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.453 -0.779 . . . . 0.0 109.848 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -63.45 -55.64 22.54 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.299 -0.876 . . . . 0.0 109.735 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -49.52 77.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.258 -0.901 . . . . 0.0 109.731 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.51 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 3.2 mm? -59.65 -44.51 93.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.249 -0.907 . . . . 0.0 109.765 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.07 -46.8 11.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.23 -0.919 . . . . 0.0 109.415 179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.6 mt -67.33 -48.32 67.88 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.365 -0.834 . . . . 0.0 109.685 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.544 ' CD ' ' HB3' ' B' ' 32' ' ' ALA . 1.4 tppp? -43.0 -36.48 1.58 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.33 -0.856 . . . . 0.0 110.119 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -80.53 -42.41 22.47 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.272 -0.893 . . . . 0.0 110.389 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.18 7.73 12.85 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.278 -0.889 . . . . 0.0 110.433 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.4 mt-30 -134.83 -77.44 0.45 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.179 -0.95 . . . . 0.0 110.286 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.544 ' HB3' ' CD ' ' B' ' 28' ' ' LYS . . . -69.83 -68.02 0.44 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.296 -0.878 . . . . 0.0 110.252 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' B' ' 34' ' ' LYS . . . 65.3 78.32 0.22 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 33' ' ' GLY . 16.2 mttt . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.287 -1.125 . . . . 0.0 110.246 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.249 0.547 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.46 -27.7 7.89 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.47 93.99 0.13 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.251 -1.146 . . . . 0.0 110.141 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.37 163.48 37.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.204 -0.935 . . . . 0.0 110.289 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 71.1 m-85 -134.19 171.46 14.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.25 -0.906 . . . . 0.0 110.162 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 t -149.44 135.2 18.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.142 -0.974 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -130.12 149.86 51.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.355 -0.841 . . . . 0.0 109.863 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 9' ' ' ILE . 3.3 mt-30 -134.68 147.13 50.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.165 -0.959 . . . . 0.0 110.213 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 8' ' ' GLN . 41.3 mm -125.71 156.13 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.287 -0.883 . . . . 0.0 110.278 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.28 28.21 8.73 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.533 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -167.18 155.79 27.12 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.15 -26.39 23.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.28 -1.13 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.67 -41.19 97.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.238 -0.914 . . . . 0.0 110.394 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.706 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.26 -41.46 18.3 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.247 -0.908 . . . . 0.0 109.444 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 51.4 t80 -48.92 -46.01 42.34 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.288 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.7 mm-40 -45.21 -34.4 2.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.372 -0.83 . . . . 0.0 109.142 179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.2 mm-40 -72.82 -46.48 52.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.35 -0.844 . . . . 0.0 109.548 179.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.576 ' CE1' HD21 ' A' ' 7' ' ' LEU . 95.6 m-85 -65.48 -59.14 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.376 -0.828 . . . . 0.0 110.056 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 2.4 tpt180 -45.5 -48.86 14.02 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.218 -0.927 . . . . 0.0 109.9 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.1 -51.07 45.91 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.317 -0.864 . . . . 0.0 109.804 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 1.2 mmp_? -59.16 -44.05 92.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.256 -0.903 . . . . 0.0 109.821 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 5.6 t-20 -43.81 -51.8 7.11 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.242 -0.911 . . . . 0.0 109.554 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.88 -46.99 87.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.433 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -59.2 -41.68 89.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.327 -0.858 . . . . 0.0 109.614 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 26' ' ' GLU . 3.3 tt -49.85 -57.56 7.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.722 ' N ' HD23 ' A' ' 25' ' ' LEU . 12.2 tt0 -47.45 -48.77 26.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -27.6 64.51 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.431 -0.793 . . . . 0.0 110.08 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' CG ' ' HD3' ' B' ' 14' ' ' ARG . 4.3 tptp -79.93 -42.17 24.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.26 -0.9 . . . . 0.0 110.051 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' OD2' ' HG ' ' A' ' 25' ' ' LEU . 4.0 m-20 -58.47 -46.0 87.51 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.26 -0.9 . . . . 0.0 109.891 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.97 -31.31 5.13 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.301 -0.875 . . . . 0.0 110.002 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' LYS . 17.3 mt-30 -112.05 137.17 50.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.873 . . . . 0.0 110.04 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 47.97 32.18 2.73 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.125 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.64 -170.17 15.47 Favored Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.263 -1.139 . . . . 0.0 110.257 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 39.8 p-10 . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.2 0.524 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.56 -27.74 7.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -172.37 93.98 0.13 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.232 -1.158 . . . . 0.0 110.155 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.21 163.62 37.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.211 -0.931 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 72.2 m-85 -134.12 171.42 14.25 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 110.116 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -149.72 135.0 18.18 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.167 -0.958 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.558 HD21 ' CE1' ' B' ' 18' ' ' PHE . 0.7 OUTLIER -130.27 149.51 51.93 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.359 -0.838 . . . . 0.0 109.889 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.648 ' O ' HD13 ' B' ' 9' ' ' ILE . 3.2 mt-30 -134.25 147.5 50.68 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.122 -0.986 . . . . 0.0 110.23 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.648 HD13 ' O ' ' B' ' 8' ' ' GLN . 41.1 mm -125.86 156.32 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.256 -0.902 . . . . 0.0 110.169 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 ptt180 -116.44 28.33 8.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.254 -0.904 . . . . 0.0 110.154 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.528 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -167.28 155.82 27.15 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -87.19 -27.08 23.23 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -1.152 . . . . 0.0 110.182 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -60.78 -42.46 97.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.235 -0.916 . . . . 0.0 110.078 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.613 ' HB3' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -82.04 -41.85 20.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.872 179.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.2 t80 -48.4 -46.11 36.87 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.481 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.7 mm-40 -44.85 -34.42 2.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.908 . . . . 0.0 109.354 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 4.3 mm-40 -73.0 -45.57 57.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.473 -0.767 . . . . 0.0 109.653 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.609 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 95.7 m-85 -66.73 -58.46 5.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.3 -0.875 . . . . 0.0 109.854 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.47 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 2.4 tpt180 -46.24 -47.96 17.96 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.288 -0.883 . . . . 0.0 109.776 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.14 -50.68 58.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.288 -0.882 . . . . 0.0 109.86 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' B' ' 22' ' ' ASN . 1.2 mmp_? -59.59 -43.28 93.72 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.26 -0.9 . . . . 0.0 109.816 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.475 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 5.7 t-20 -44.53 -51.31 8.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.599 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.66 -45.69 93.16 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 109.46 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -60.39 -41.01 92.96 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.381 -0.825 . . . . 0.0 109.538 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.715 HD23 ' N ' ' B' ' 26' ' ' GLU . 3.2 tt -50.12 -57.32 7.93 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.318 -0.864 . . . . 0.0 109.469 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.715 ' N ' HD23 ' B' ' 25' ' ' LEU . 11.9 tt0 -47.7 -47.86 29.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.371 -0.83 . . . . 0.0 109.449 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.421 ' HA ' HD22 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -71.39 -27.59 63.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.8 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.525 ' HG2' ' CZ ' ' A' ' 14' ' ' ARG . 3.0 tptp -79.66 -42.19 25.3 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.287 -0.883 . . . . 0.0 109.97 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.458 ' OD2' ' HG ' ' B' ' 25' ' ' LEU . 4.1 m-20 -58.99 -46.07 89.07 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.193 -0.942 . . . . 0.0 109.992 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -47.79 -31.52 5.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.214 -0.929 . . . . 0.0 110.012 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -111.89 136.9 50.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.252 -0.905 . . . . 0.0 110.067 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 48.11 32.21 2.88 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.199 -0.938 . . . . 0.0 110.127 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.63 -170.3 15.52 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttt . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.228 -1.16 . . . . 0.0 110.233 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 54.9 p30 . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.242 0.544 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.24 109.37 0.32 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -139.5 61.82 1.54 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.32 -1.106 . . . . 0.0 110.177 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.55 150.45 51.66 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.226 -0.921 . . . . 0.0 110.342 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -120.19 156.92 30.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.283 -0.885 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 7' ' ' LEU . 16.0 m -141.19 170.72 15.19 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.132 -0.98 . . . . 0.0 110.381 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.566 ' N ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -153.12 153.37 32.67 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.249 -0.907 . . . . 0.0 110.051 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.31 132.8 52.81 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.248 -0.907 . . . . 0.0 110.159 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.664 HG23 ' CD1' ' B' ' 25' ' ' LEU . 3.3 mp -122.86 151.96 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 110.248 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.15 52.59 1.79 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.39 148.86 8.68 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -84.07 -27.9 27.94 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.223 -1.163 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -73.35 -35.01 65.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 110.158 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.733 ' CB ' HD12 ' B' ' 25' ' ' LEU . 2.9 mtt85 -82.78 -38.4 23.22 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.29 -0.881 . . . . 0.0 109.215 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' HD1' HD13 ' A' ' 9' ' ' ILE . 33.7 t80 -53.39 -42.35 66.85 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.268 -0.895 . . . . 0.0 109.307 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.1 -40.1 44.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.339 -0.851 . . . . 0.0 109.271 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -63.34 -44.73 94.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.35 179.299 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' ARG . 93.7 m-85 -70.64 -57.05 5.11 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.359 -0.838 . . . . 0.0 109.912 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.7 ttt85 -42.04 -68.06 0.22 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 109.974 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.25 -44.93 16.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.207 -0.933 . . . . 0.0 109.5 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.492 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -58.99 -39.68 82.52 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.338 -0.851 . . . . 0.0 109.64 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 9.2 t-20 -53.81 -49.95 67.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 109.62 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -55.47 -43.64 75.73 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.294 -0.879 . . . . 0.0 109.631 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' LYS . . . -56.6 -40.38 75.2 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.374 -0.829 . . . . 0.0 109.822 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.842 ' CD1' HG23 ' B' ' 9' ' ' ILE . 1.5 tt -57.62 -54.45 46.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.344 -0.847 . . . . 0.0 109.671 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.782 ' N ' HD23 ' A' ' 25' ' ' LEU . 4.8 tm-20 -46.64 -56.97 5.26 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.289 -0.882 . . . . 0.0 109.688 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' C ' HD23 ' A' ' 27' ' ' LEU . 6.1 tt -68.6 -35.34 77.21 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.375 -0.828 . . . . 0.0 109.827 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 4.4 tptt -63.33 -38.3 90.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.372 -0.83 . . . . 0.0 110.013 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' ' NE ' ' B' ' 14' ' ' ARG . 0.6 OUTLIER -74.86 -51.57 13.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.973 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.48 -21.96 2.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.3 -0.875 . . . . 0.0 109.993 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.546 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 10.6 mm100 -94.87 141.09 29.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 31' ' ' GLN . . . 60.61 32.92 20.44 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.254 -0.904 . . . . 0.0 110.145 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.86 -148.53 7.2 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.213 -1.169 . . . . 0.0 110.212 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' B' ' 1' ' ' ASP . 54.3 p30 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.297 0.57 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.22 109.62 0.33 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -139.66 61.49 1.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.259 -1.142 . . . . 0.0 110.16 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.34 150.56 51.85 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 110.294 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.504 ' HB2' ' HB ' ' A' ' 9' ' ' ILE . 76.4 m-85 -120.21 157.4 29.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -0.912 . . . . 0.0 109.908 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.584 HG22 ' N ' ' B' ' 7' ' ' LEU . 15.1 m -141.73 171.03 14.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.086 -1.009 . . . . 0.0 110.357 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.584 ' N ' HG22 ' B' ' 6' ' ' THR . 0.6 OUTLIER -153.27 153.61 33.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.285 -0.884 . . . . 0.0 110.131 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -125.52 132.44 52.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 0.0 110.184 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.842 HG23 ' CD1' ' A' ' 25' ' ' LEU . 3.3 mp -122.51 152.02 26.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.278 -0.889 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.23 52.67 1.79 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.53 148.63 8.51 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -83.69 -28.6 28.21 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.256 -1.143 . . . . 0.0 110.226 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -72.46 -36.49 68.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.173 -0.954 . . . . 0.0 109.929 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.696 ' CB ' HD12 ' A' ' 25' ' ' LEU . 2.8 mtt85 -81.37 -38.49 26.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.251 -0.905 . . . . 0.0 109.627 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.433 ' HD1' HD13 ' B' ' 9' ' ' ILE . 33.5 t80 -53.39 -42.19 66.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.263 -0.898 . . . . 0.0 109.539 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -49.62 -40.85 40.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.313 -0.867 . . . . 0.0 109.39 179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.0 OUTLIER -62.67 -44.85 95.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -0.885 . . . . 0.0 109.433 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.492 ' CE1' ' HG2' ' A' ' 21' ' ' ARG . 93.9 m-85 -70.86 -56.19 6.83 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.362 -0.836 . . . . 0.0 109.802 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 ttt85 -42.88 -67.77 0.25 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.292 -0.88 . . . . 0.0 109.773 179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -46.62 -44.47 18.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.2 -0.937 . . . . 0.0 109.492 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -39.87 84.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.346 -0.846 . . . . 0.0 109.589 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 9.0 t-20 -53.44 -50.03 66.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.325 -0.859 . . . . 0.0 109.642 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.49 -43.64 75.8 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.285 -0.884 . . . . 0.0 109.717 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' B' ' 28' ' ' LYS . . . -56.79 -40.05 75.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 109.827 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.768 HD23 ' N ' ' B' ' 26' ' ' GLU . 1.5 tt -57.77 -54.53 45.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.331 -0.855 . . . . 0.0 109.729 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.768 ' N ' HD23 ' B' ' 25' ' ' LEU . 4.9 tm-20 -46.6 -56.98 5.22 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.711 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.572 HD23 ' C ' ' B' ' 27' ' ' LEU . 6.1 tt -68.66 -35.15 76.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.337 -0.852 . . . . 0.0 109.795 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 4.3 tptt -63.46 -38.36 90.82 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.362 -0.836 . . . . 0.0 109.94 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.46 ' OD2' ' NE ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -74.91 -51.53 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.343 -0.848 . . . . 0.0 110.022 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.69 -21.72 2.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.266 -0.896 . . . . 0.0 109.984 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.55 ' O ' ' HB3' ' B' ' 32' ' ' ALA . 10.5 mm100 -95.03 141.05 29.13 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.285 -0.884 . . . . 0.0 110.05 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' B' ' 31' ' ' GLN . . . 60.66 32.93 20.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.224 -0.922 . . . . 0.0 110.135 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.87 -148.49 7.19 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.251 -1.146 . . . . 0.0 110.194 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 47.8 t0 . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.272 0.558 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.11 157.61 28.43 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.69 -38.08 5.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.286 -1.126 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.453 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 10.8 p90 -125.44 177.46 6.17 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.253 -0.904 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.57 -179.86 4.11 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.25 -0.906 . . . . 0.0 110.144 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 3.2 t -152.13 143.34 23.25 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.273 -0.892 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 tp -129.95 140.76 50.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.344 -0.848 . . . . 0.0 110.178 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -128.16 134.46 49.08 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.245 -0.909 . . . . 0.0 110.217 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 11' ' ' GLY . 6.6 mt -130.07 142.41 43.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.175 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.42 45.0 1.25 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.256 -0.902 . . . . 0.0 110.144 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.409 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -155.9 133.48 3.73 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.5 -48.93 29.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -1.14 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.01 -36.64 60.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.265 -0.897 . . . . 0.0 110.269 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.86 ' HG3' HD21 ' B' ' 25' ' ' LEU . 20.0 mmt180 -83.07 -48.57 10.45 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.371 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD2' ' CG ' ' B' ' 5' ' ' PHE . 10.4 t80 -47.89 -46.54 31.68 Favored 'General case' 0 C--N 1.304 -1.371 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.66 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -45.88 -38.18 7.12 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.31 -0.869 . . . . 0.0 109.41 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 17.4 mt-30 -67.69 -47.31 69.79 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.373 -0.829 . . . . 0.0 109.604 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.721 ' CE1' HD12 ' B' ' 25' ' ' LEU . 96.5 m-85 -72.02 -54.4 10.01 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.307 -0.871 . . . . 0.0 109.78 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 7.7 ttp180 -46.72 -65.81 0.5 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.223 -0.923 . . . . 0.0 109.802 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -48.21 -41.6 27.79 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.209 -0.932 . . . . 0.0 109.499 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 3.9 tpt180 -60.62 -42.77 97.54 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.353 -0.842 . . . . 0.0 109.564 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.581 ' HB2' HD11 ' B' ' 7' ' ' LEU . 18.1 t-20 -51.13 -50.92 57.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.401 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -52.13 -52.54 50.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.284 -0.885 . . . . 0.0 109.168 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.86 38.32 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.291 -0.881 . . . . 0.0 109.006 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD11 HG23 ' B' ' 9' ' ' ILE . 1.7 tt -56.86 -57.74 11.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.466 -0.771 . . . . 0.0 109.304 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.39 -36.47 9.74 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.245 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -80.18 -44.51 19.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.429 -0.794 . . . . 0.0 109.934 179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 6.4 tppt? -65.47 -35.62 81.45 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.236 -0.915 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -50.23 43.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.28 -0.888 . . . . 0.0 110.085 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -14.79 63.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.274 -0.891 . . . . 0.0 110.205 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 3.1 mt-30 -80.93 -69.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.209 -0.932 . . . . 0.0 110.142 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.89 61.19 3.48 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.198 -0.939 . . . . 0.0 110.136 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.67 -61.78 4.05 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.19 -1.183 . . . . 0.0 110.245 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 47.7 t0 . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.267 0.556 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.97 157.55 28.35 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.66 -37.96 5.78 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.298 -1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 10.8 p90 -125.61 177.45 6.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.287 -0.883 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.536 ' CG ' ' CD2' ' A' ' 15' ' ' PHE . 32.5 m-85 -120.58 -179.88 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.253 -0.905 . . . . 0.0 110.251 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -152.14 143.21 23.15 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.211 -0.931 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' ' 22' ' ' ASN . 10.8 tp -129.73 141.05 50.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -0.917 . . . . 0.0 110.098 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.0 mt-30 -128.33 134.42 48.88 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.193 -0.942 . . . . 0.0 110.224 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.568 HG23 HD11 ' A' ' 25' ' ' LEU . 6.6 mt -129.94 142.52 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.6 45.0 1.26 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.243 -0.91 . . . . 0.0 110.199 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.413 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -155.87 133.41 3.71 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -73.45 -49.62 25.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -1.186 . . . . 0.0 110.196 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.91 -38.8 57.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 109.992 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -81.09 -49.28 11.06 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.363 -0.836 . . . . 0.0 109.827 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' B' ' 16' ' ' GLU . 10.4 t80 -47.34 -46.49 25.59 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.256 -0.902 . . . . 0.0 109.775 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.4 mt-10 -45.51 -38.22 6.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.448 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 17.7 mt-30 -67.7 -47.13 70.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.36 -0.838 . . . . 0.0 109.698 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 25' ' ' LEU . 95.3 m-85 -72.59 -53.67 11.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 7.7 ttp180 -47.26 -65.52 0.55 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.676 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -48.48 -41.61 30.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 4.0 tpt180 -60.5 -42.82 97.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.382 -0.824 . . . . 0.0 109.539 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 18.1 t-20 -51.24 -50.71 58.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 109.415 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.41 -52.02 56.04 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.281 -0.887 . . . . 0.0 109.217 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.31 -33.56 42.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.299 -0.876 . . . . 0.0 109.033 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.86 HD21 ' HG3' ' A' ' 14' ' ' ARG . 1.6 tt -56.76 -57.79 10.91 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.484 -0.76 . . . . 0.0 109.473 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -47.42 -35.4 8.4 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.418 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -81.26 -44.46 17.7 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.415 -0.803 . . . . 0.0 109.739 179.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 6.0 tppt? -65.55 -35.58 81.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.343 -0.848 . . . . 0.0 109.938 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.41 -50.28 40.19 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.7 -14.85 63.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.272 -0.892 . . . . 0.0 110.188 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 3.0 mt-30 -80.91 -69.01 0.63 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.251 -0.906 . . . . 0.0 110.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.97 61.12 3.43 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.239 -0.913 . . . . 0.0 110.185 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.56 -61.74 4.02 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttt . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.243 -1.151 . . . . 0.0 110.237 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.278 0.561 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.26 144.35 9.08 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.64 29.56 5.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.293 -1.122 . . . . 0.0 110.175 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CZ ' ' HB3' ' B' ' 10' ' ' ARG . 0.7 OUTLIER -147.89 161.92 40.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.913 . . . . 0.0 110.279 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.18 117.47 17.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.035 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -123.83 136.78 54.6 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.848 HD22 ' ND2' ' B' ' 22' ' ' ASN . 4.6 mt -122.4 156.82 33.19 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.21 -0.931 . . . . 0.0 110.164 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -119.95 131.58 55.24 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.245 -0.909 . . . . 0.0 110.282 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.525 ' O ' ' CD1' ' B' ' 4' ' ' TYR . 4.3 mt -125.34 149.4 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.264 -0.898 . . . . 0.0 110.204 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' B' ' 4' ' ' TYR . 0.1 OUTLIER -124.91 44.82 2.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.237 -0.914 . . . . 0.0 110.306 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.91 105.48 0.26 Allowed Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -46.71 -51.86 15.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -1.166 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.04 -35.85 7.27 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.185 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 47.7 mtm180 -83.16 -53.51 5.73 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.202 -0.936 . . . . 0.0 109.159 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' O ' ' C ' ' A' ' 16' ' ' GLU . 39.0 t80 -47.33 -46.62 25.58 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 119.844 -0.743 . . . . 0.0 109.731 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' PHE . 11.1 mt-10 -44.27 -40.4 5.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.39 -0.819 . . . . 0.0 109.507 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 4.9 mm-40 -66.65 -43.96 83.18 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.301 -0.874 . . . . 0.0 109.482 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.605 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 98.7 m-85 -69.75 -54.8 12.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.26 -0.9 . . . . 0.0 109.886 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -45.08 -58.45 3.2 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.246 -0.909 . . . . 0.0 109.668 179.605 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.21 -41.6 60.37 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -0.879 . . . . 0.0 109.581 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.63 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -68.77 -46.14 69.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.343 -0.848 . . . . 0.0 109.73 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.78 ' ND2' HD22 ' B' ' 7' ' ' LEU . 5.6 t-20 -43.33 -42.02 4.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.278 -0.889 . . . . 0.0 109.607 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -80.54 -48.21 13.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.416 -0.802 . . . . 0.0 109.839 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.12 97.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.594 ' HG ' ' CE2' ' B' ' 18' ' ' PHE . 4.3 mm? -63.55 -49.21 74.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.331 -0.856 . . . . 0.0 109.824 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' LEU . 1.7 tm-20 -44.93 -46.25 10.87 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.221 -0.924 . . . . 0.0 109.588 179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' OE1' ' A' ' 31' ' ' GLN . 5.3 tt -69.85 -31.89 69.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.344 -0.847 . . . . 0.0 109.834 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.71 -37.57 87.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.342 -0.849 . . . . 0.0 109.902 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' HB2' ' HD3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -71.42 -47.43 55.97 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 110.137 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.7 -10.04 24.31 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.211 -0.931 . . . . 0.0 110.184 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.44 ' OE1' HD23 ' A' ' 27' ' ' LEU . 3.1 mt-30 -100.88 -27.05 13.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.318 -0.864 . . . . 0.0 110.054 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.97 -4.16 22.42 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.271 -0.893 . . . . 0.0 110.067 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.25 -179.5 27.01 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.207 -1.173 . . . . 0.0 110.22 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.276 0.56 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -166.09 144.32 9.08 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 29.43 5.51 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.265 -1.138 . . . . 0.0 110.215 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -147.83 161.89 40.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.232 -0.918 . . . . 0.0 110.311 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -133.14 117.51 17.57 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -123.94 136.72 54.51 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.934 . . . . 0.0 110.263 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.78 HD22 ' ND2' ' A' ' 22' ' ' ASN . 4.7 mt -122.29 157.14 32.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.311 -0.868 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -120.19 131.77 55.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.212 -0.93 . . . . 0.0 110.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' A' ' 4' ' ' TYR . 4.3 mt -125.49 149.48 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.252 -0.905 . . . . 0.0 110.222 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -125.01 44.78 2.71 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.243 -0.911 . . . . 0.0 110.272 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.82 105.45 0.26 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -52.98 12.51 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.279 -1.13 . . . . 0.0 110.147 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -45.44 -38.54 6.19 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.942 . . . . 0.0 109.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.469 ' HA ' HD12 ' A' ' 25' ' ' LEU . 46.9 mtm180 -80.49 -55.07 5.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.281 -0.887 . . . . 0.0 109.573 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' O ' ' C ' ' B' ' 16' ' ' GLU . 38.2 t80 -46.28 -46.44 17.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.453 -0.78 . . . . 0.0 109.881 179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 15' ' ' PHE . 11.0 mt-10 -44.1 -40.04 4.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 109.574 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 5.0 mm-40 -67.05 -43.27 83.14 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.654 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 98.5 m-85 -70.26 -54.45 12.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.369 -0.832 . . . . 0.0 109.786 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -45.81 -57.87 3.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.639 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.92 -41.55 62.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.281 -0.887 . . . . 0.0 109.58 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.605 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -68.94 -45.83 69.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.321 -0.862 . . . . 0.0 109.663 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.848 ' ND2' HD22 ' A' ' 7' ' ' LEU . 5.6 t-20 -43.54 -41.83 4.67 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 109.715 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -80.61 -48.62 12.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.386 -0.821 . . . . 0.0 109.77 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.56 -44.4 96.19 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.281 -0.887 . . . . 0.0 109.726 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 18' ' ' PHE . 4.3 mm? -63.11 -49.57 73.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.826 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' B' ' 25' ' ' LEU . 1.7 tm-20 -44.63 -45.98 9.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.689 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.434 HD23 ' OE1' ' B' ' 31' ' ' GLN . 5.5 tt -70.37 -31.6 68.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.323 -0.861 . . . . 0.0 109.777 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.99 -37.19 86.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.364 -0.835 . . . . 0.0 109.912 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.444 ' HB2' ' HD3' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -71.78 -47.38 53.9 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.308 -0.87 . . . . 0.0 110.121 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.82 -10.33 27.33 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.896 . . . . 0.0 110.108 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.434 ' OE1' HD23 ' B' ' 27' ' ' LEU . 3.2 mt-30 -100.46 -27.14 13.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 110.037 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -104.77 -4.25 22.57 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.334 -0.854 . . . . 0.0 110.132 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.31 -179.33 26.92 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.224 -1.162 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.302 0.572 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.33 140.62 3.0 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.26 62.05 1.62 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.303 -1.116 . . . . 0.0 110.213 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' B' ' 10' ' ' ARG . 38.9 p90 -154.04 177.45 11.05 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.29 178.43 5.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.343 -0.848 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.31 134.27 14.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.246 -0.909 . . . . 0.0 110.224 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' CD2' HD11 ' A' ' 9' ' ' ILE . 21.2 tp -118.89 134.64 55.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.886 . . . . 0.0 110.134 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.14 115.91 25.25 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.289 -0.882 . . . . 0.0 110.211 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.505 HD11 ' CD2' ' A' ' 7' ' ' LEU . 3.1 mp -119.05 128.69 75.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.203 -0.936 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' HA ' ' CB ' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -95.3 40.65 1.1 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.305 -0.872 . . . . 0.0 110.216 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -157.6 124.05 1.36 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HG3' ' HG2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -66.48 -41.74 88.5 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.237 -1.155 . . . . 0.0 110.208 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HB3' ' OD1' ' B' ' 29' ' ' ASP . 0.9 OUTLIER -47.02 -44.63 20.61 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.26 -0.9 . . . . 0.0 110.189 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.563 ' HA ' HD12 ' B' ' 25' ' ' LEU . 21.0 mtp180 -83.24 -40.56 19.45 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.278 -0.889 . . . . 0.0 109.76 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 16' ' ' GLU . 51.4 t80 -60.68 -51.78 67.9 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.402 -0.811 . . . . 0.0 110.166 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HG2' ' HG3' ' A' ' 12' ' ' ARG . 4.7 mm-40 -42.99 -40.06 2.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.323 -0.861 . . . . 0.0 109.562 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 4.6 mm-40 -65.2 -45.61 84.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.485 -0.759 . . . . 0.0 109.764 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 17.1 m-30 -69.94 -55.28 10.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.293 -0.879 . . . . 0.0 110.111 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 18' ' ' PHE . 4.6 ttt180 -41.18 -67.54 0.24 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.221 -0.924 . . . . 0.0 110.206 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.9 -43.97 29.31 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.169 -0.957 . . . . 0.0 109.531 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -62.21 -44.7 95.99 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.626 179.448 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CG ' HD11 ' B' ' 7' ' ' LEU . 23.1 t-20 -44.15 -49.57 8.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.276 -0.89 . . . . 0.0 109.571 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -61.63 -51.04 70.13 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.306 -0.871 . . . . 0.0 109.867 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.13 -53.86 50.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.295 -0.878 . . . . 0.0 109.756 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 3.1 mm? -52.0 -44.84 64.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.311 -0.868 . . . . 0.0 109.674 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -45.95 -54.18 8.71 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.898 . . . . 0.0 109.457 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.63 -38.52 77.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.299 -0.876 . . . . 0.0 109.905 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 12.2 tppt? -47.52 -55.98 8.03 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.274 -0.891 . . . . 0.0 109.903 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -47.57 83.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.293 -0.88 . . . . 0.0 110.127 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.69 14.61 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.329 -0.857 . . . . 0.0 110.303 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -92.35 -61.95 1.5 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.279 -0.888 . . . . 0.0 110.318 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.45 47.6 1.13 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.218 -0.926 . . . . 0.0 110.265 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.99 8.5 42.39 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.18 -1.188 . . . . 0.0 110.209 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.28 0.562 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.34 140.76 3.04 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.41 61.92 1.63 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.297 -1.12 . . . . 0.0 110.245 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.408 ' CB ' ' HA ' ' A' ' 10' ' ' ARG . 39.0 p90 -153.85 177.52 10.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.261 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -126.39 178.19 6.0 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -0.916 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -152.17 133.49 14.45 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.238 -0.914 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.511 ' CD2' HD11 ' B' ' 9' ' ' ILE . 21.1 tp -117.93 134.96 54.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.222 -0.924 . . . . 0.0 110.2 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.45 115.93 25.09 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.251 -0.906 . . . . 0.0 110.166 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.511 HD11 ' CD2' ' B' ' 7' ' ' LEU . 3.1 mp -119.16 128.79 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.264 -0.897 . . . . 0.0 110.216 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -95.48 40.77 1.1 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 110.234 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.42 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -157.67 124.19 1.38 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.474 ' HG3' ' HG2' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -66.64 -41.62 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.265 -1.138 . . . . 0.0 110.177 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -44.93 20.58 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.23 -0.919 . . . . 0.0 110.066 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.426 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 20.3 mtp180 -83.09 -40.31 20.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.262 -0.899 . . . . 0.0 110.027 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.433 ' O ' ' C ' ' B' ' 16' ' ' GLU . 50.4 t80 -60.97 -51.29 69.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 110.102 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.474 ' HG2' ' HG3' ' B' ' 12' ' ' ARG . 4.7 mm-40 -43.67 -37.63 2.71 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 109.735 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' B' ' 21' ' ' ARG . 4.6 mm-40 -68.08 -43.43 78.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.356 -0.84 . . . . 0.0 109.846 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 17.5 m-30 -72.4 -52.92 13.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 110.013 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' B' ' 18' ' ' PHE . 4.6 ttt180 -43.1 -67.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.272 -0.892 . . . . 0.0 109.907 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -47.59 -43.82 25.87 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.185 -0.947 . . . . 0.0 109.615 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -62.14 -44.29 96.95 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.354 -0.841 . . . . 0.0 109.745 179.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 22.9 t-20 -44.56 -49.17 10.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.277 -0.889 . . . . 0.0 109.686 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -62.21 -50.8 70.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.321 -0.862 . . . . 0.0 109.645 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.22 -54.14 47.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.32 -0.862 . . . . 0.0 109.781 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 14' ' ' ARG . 3.1 mm? -51.81 -44.29 63.46 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.343 -0.848 . . . . 0.0 109.765 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -46.53 -53.16 11.88 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.196 -0.94 . . . . 0.0 109.679 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 27' ' ' LEU . 0.3 OUTLIER -70.7 -38.05 73.63 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.413 -0.804 . . . . 0.0 109.802 179.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.506 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 12.3 tppt? -47.81 -55.47 9.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 109.825 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.41 ' OD1' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -62.96 -47.28 83.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.311 -0.868 . . . . 0.0 110.158 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.97 -26.71 16.08 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.316 -0.865 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -92.23 -61.77 1.55 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.263 -0.898 . . . . 0.0 110.273 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.73 47.67 1.12 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.258 -0.901 . . . . 0.0 110.213 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.12 8.53 41.99 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.234 -1.156 . . . . 0.0 110.184 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.234 0.54 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.17 166.51 15.03 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -128.74 -41.45 1.49 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.25 -1.147 . . . . 0.0 110.208 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' B' ' 9' ' ' ILE . 24.7 p90 -140.55 -174.02 3.85 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.241 -0.912 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CZ ' ' HD2' ' B' ' 12' ' ' ARG . 25.8 m-85 -123.41 163.85 20.04 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.276 -0.89 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 16.5 m -150.72 128.08 11.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 0.0 109.976 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.38 162.77 19.81 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 0.0 110.401 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -129.79 132.7 46.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 110.023 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 11' ' ' GLY . 2.6 mp -119.27 156.75 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.956 . . . . 0.0 110.371 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -134.31 34.07 3.29 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.271 -0.893 . . . . 0.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.589 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -154.03 129.85 2.76 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' HD2' ' CZ ' ' B' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -55.76 14.12 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.256 -1.144 . . . . 0.0 110.214 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 21.7 tt0 -44.31 -40.94 5.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 110.248 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.771 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.2 OUTLIER -83.02 -45.31 14.21 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.275 -0.89 . . . . 0.0 109.44 179.567 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 45.9 t80 -51.78 -47.65 64.1 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.393 -0.817 . . . . 0.0 109.659 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 12' ' ' ARG . 9.5 mt-10 -44.79 -38.01 4.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.292 -0.88 . . . . 0.0 109.336 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.83 -46.32 75.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.408 -0.808 . . . . 0.0 109.601 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' B' ' 21' ' ' ARG . 97.3 m-85 -67.51 -58.86 3.97 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.279 -0.888 . . . . 0.0 109.906 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.4 tpt180 -43.48 -61.53 1.35 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 109.823 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -45.77 -49.05 15.36 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.276 -0.89 . . . . 0.0 109.527 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' B' ' 18' ' ' PHE . 3.6 mpt_? -57.01 -41.38 78.39 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.314 -0.866 . . . . 0.0 109.636 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 25' ' ' LEU . 6.9 t-20 -50.46 -51.38 47.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 109.738 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -55.12 -44.41 74.98 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.265 -0.897 . . . . 0.0 109.49 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -62.89 -37.11 85.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.375 -0.828 . . . . 0.0 109.833 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' B' ' 14' ' ' ARG . 4.6 tt -57.41 -48.2 79.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.379 -0.826 . . . . 0.0 109.914 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.641 ' N ' HD23 ' A' ' 25' ' ' LEU . 10.4 mt-10 -57.38 -55.22 37.63 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.319 -0.863 . . . . 0.0 109.83 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.58 -24.66 64.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 109.832 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.65 ' HD2' ' HB3' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -77.34 -31.2 54.36 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.341 -0.849 . . . . 0.0 109.91 179.716 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.29 -48.56 33.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 110.124 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.43 -12.18 29.09 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.294 -0.879 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.66 -58.05 1.98 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.346 -0.846 . . . . 0.0 110.18 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.65 ' HB3' ' HD2' ' A' ' 28' ' ' LYS . . . -111.8 68.95 0.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.246 -0.909 . . . . 0.0 110.175 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.02 -121.01 2.63 Favored Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.27 -1.135 . . . . 0.0 110.231 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.256 0.55 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.21 166.5 15.04 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -128.69 -41.4 1.5 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.173 -1.192 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 24.8 p90 -140.54 -173.98 3.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.3 -0.875 . . . . 0.0 110.209 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 12' ' ' ARG . 25.9 m-85 -123.53 164.12 19.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 110.164 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 m -151.21 128.33 11.15 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 109.971 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mt -121.53 163.01 19.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.225 -0.922 . . . . 0.0 110.437 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 5.1 mt-30 -129.98 132.25 46.22 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.295 -0.878 . . . . 0.0 110.007 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.583 HG22 ' H ' ' B' ' 11' ' ' GLY . 2.6 mp -118.9 156.81 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.263 -0.898 . . . . 0.0 110.344 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -134.37 34.23 3.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.301 -0.874 . . . . 0.0 110.185 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.583 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -154.17 129.93 2.77 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -66.48 -56.38 11.18 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.265 -1.138 . . . . 0.0 110.205 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.439 ' HB3' ' CZ ' ' B' ' 14' ' ' ARG . 21.6 tt0 -43.43 -42.11 4.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.733 ' HB3' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -81.89 -46.17 14.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.268 -0.895 . . . . 0.0 109.766 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 16' ' ' GLU . 44.2 t80 -51.1 -47.71 61.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.29 -0.881 . . . . 0.0 109.703 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 12' ' ' ARG . 9.5 mt-10 -44.4 -38.04 3.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.316 -0.865 . . . . 0.0 109.482 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HD3' ' B' ' 21' ' ' ARG . 2.2 tm0? -67.04 -45.9 76.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.444 -0.785 . . . . 0.0 109.609 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 21' ' ' ARG . 97.3 m-85 -68.1 -58.17 4.92 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.33 -0.856 . . . . 0.0 109.864 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.3 tpt180 -44.25 -61.44 1.5 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 109.717 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -45.92 -48.59 16.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.336 -0.852 . . . . 0.0 109.62 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.591 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 3.6 mpt_? -57.55 -41.18 80.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.864 . . . . 0.0 109.64 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.467 ' O ' ' HB3' ' B' ' 25' ' ' LEU . 6.9 t-20 -50.36 -51.23 47.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.783 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -55.43 -43.63 75.53 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 109.584 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' B' ' 28' ' ' LYS . . . -63.84 -36.72 84.85 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.672 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' A' ' 14' ' ' ARG . 4.5 tt -57.56 -48.05 80.4 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.317 -0.865 . . . . 0.0 109.845 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.641 ' N ' HD23 ' B' ' 25' ' ' LEU . 10.4 mt-10 -57.56 -55.43 34.98 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.293 -0.879 . . . . 0.0 109.77 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.33 -24.87 64.87 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.819 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.647 ' HD2' ' HB3' ' B' ' 32' ' ' ALA . 0.3 OUTLIER -77.19 -31.15 55.18 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.355 -0.841 . . . . 0.0 109.841 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -73.52 -48.23 34.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.878 . . . . 0.0 110.088 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.79 -12.38 35.02 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 110.156 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.35 -58.1 1.97 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.301 -0.874 . . . . 0.0 110.111 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.647 ' HB3' ' HD2' ' B' ' 28' ' ' LYS . . . -111.78 69.07 0.68 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.278 -0.889 . . . . 0.0 110.118 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.13 -121.1 2.64 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.237 -1.155 . . . . 0.0 110.215 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 15.8 p30 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.286 0.565 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.95 -22.76 4.24 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -139.33 118.85 12.97 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.234 -1.157 . . . . 0.0 110.222 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 4' ' ' TYR . 16.0 p90 -156.37 173.0 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 110.177 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.592 ' HB3' ' CE1' ' B' ' 15' ' ' PHE . 27.5 m-85 -120.89 169.49 10.4 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.257 -0.902 . . . . 0.0 110.112 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 0.8 OUTLIER -143.62 138.18 28.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.18 -0.95 . . . . 0.0 110.371 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -118.78 155.27 31.44 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.558 ' O ' HD13 ' A' ' 9' ' ' ILE . 6.3 mt-30 -136.28 130.94 33.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.244 -0.91 . . . . 0.0 110.277 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.558 HD13 ' O ' ' A' ' 8' ' ' GLN . 19.7 mm -119.67 145.6 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.167 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 mmm-85 -108.04 -14.22 14.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.244 -0.91 . . . . 0.0 110.286 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.15 150.65 17.49 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -78.28 -46.91 19.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.254 -1.145 . . . . 0.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -44.03 -40.76 5.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.315 -0.866 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' CB ' HD12 ' B' ' 25' ' ' LEU . 3.6 mtp180 -82.9 -44.46 15.35 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.205 -0.935 . . . . 0.0 109.359 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' B' ' 5' ' ' PHE . 89.9 t80 -57.15 -47.17 81.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.422 -0.799 . . . . 0.0 109.808 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' PHE . 4.4 mm-40 -44.99 -32.78 1.77 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.296 -0.878 . . . . 0.0 109.536 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' HA ' ' NE2' ' A' ' 17' ' ' GLN . 9.2 mm100 -74.28 -50.08 20.4 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.384 -0.822 . . . . 0.0 109.732 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 94.1 m-85 -62.21 -53.49 54.48 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.245 -0.909 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -50.18 -66.17 0.44 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.28 -0.888 . . . . 0.0 109.688 179.381 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.32 -40.44 17.07 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.925 . . . . 0.0 109.563 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' B' ' 18' ' ' PHE . 0.8 OUTLIER -68.36 -41.68 80.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.338 -0.851 . . . . 0.0 109.599 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.45 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 28.2 t-20 -46.92 -48.18 21.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.332 -0.855 . . . . 0.0 109.505 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -68.24 -41.74 80.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.411 -0.806 . . . . 0.0 109.698 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -56.88 7.48 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.322 -0.861 . . . . 0.0 109.714 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -54.42 -36.17 63.71 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.356 -0.84 . . . . 0.0 109.635 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 53.5 tt0 -55.56 -49.52 72.49 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.274 179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 1.1 tt -74.78 -25.16 58.88 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.35 -0.844 . . . . 0.0 109.804 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 5.8 tptt -58.82 -47.04 86.18 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.311 -0.868 . . . . 0.0 110.035 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -79.04 -34.52 43.78 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.096 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.47 -12.42 60.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.259 -0.901 . . . . 0.0 110.168 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -102.04 -36.83 8.44 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 110.245 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.43 26.69 5.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.249 -0.907 . . . . 0.0 110.252 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' ASP . . . -122.83 -123.63 2.88 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.254 -1.145 . . . . 0.0 110.169 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 p30 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.239 0.542 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.1 -22.54 4.23 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -139.55 118.74 12.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.233 -1.157 . . . . 0.0 110.226 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' B' ' 4' ' ' TYR . 15.8 p90 -156.3 172.81 17.83 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.245 -0.91 . . . . 0.0 110.189 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . 27.0 m-85 -120.75 169.56 10.29 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.298 -0.876 . . . . 0.0 110.078 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.75 137.31 28.01 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.225 -0.922 . . . . 0.0 110.388 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.468 HD23 HD11 ' B' ' 9' ' ' ILE . 0.3 OUTLIER -117.76 155.62 29.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 109.933 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.559 ' O ' HD13 ' B' ' 9' ' ' ILE . 6.0 mt-30 -136.38 131.03 33.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.135 -0.978 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.559 HD13 ' O ' ' B' ' 8' ' ' GLN . 19.4 mm -119.83 145.62 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.216 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -107.75 -15.44 14.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.208 -0.933 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.71 17.89 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' B' ' 13' ' ' GLU . 14.5 ttt180 -78.22 -47.33 18.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.288 -1.125 . . . . 0.0 110.235 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' ARG . 36.6 tt0 -43.23 -42.83 4.47 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 110.049 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' B' ' 17' ' ' GLN . 3.6 mtp180 -80.79 -45.76 16.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.831 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 5' ' ' PHE . 89.8 t80 -56.09 -47.21 78.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -0.839 . . . . 0.0 109.865 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' B' ' 15' ' ' PHE . 4.3 mm-40 -44.69 -33.0 1.68 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 109.628 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' B' ' 17' ' ' GLN . 9.1 mm100 -74.15 -50.97 17.02 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.373 -0.829 . . . . 0.0 109.775 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 96.4 m-85 -61.93 -52.5 63.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 109.703 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 0.1 OUTLIER -51.16 -65.48 0.55 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.242 -0.911 . . . . 0.0 109.494 179.443 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -47.85 -40.03 20.27 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.451 ' HG2' ' CE1' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -68.69 -41.14 79.62 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.337 -0.852 . . . . 0.0 109.583 179.453 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 28.3 t-20 -47.22 -48.17 24.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.312 -0.867 . . . . 0.0 109.559 179.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.35 -41.65 80.41 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.399 -0.813 . . . . 0.0 109.688 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.08 -56.68 7.97 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.319 -0.863 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.516 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.69 -35.9 64.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -0.926 . . . . 0.0 109.709 179.554 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 22' ' ' ASN . 53.5 tt0 -55.59 -48.68 74.45 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.396 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 1.1 tt -75.73 -25.09 56.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -0.808 . . . . 0.0 109.696 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HB3' ' HA ' ' B' ' 25' ' ' LEU . 5.6 tptt -58.74 -46.94 86.29 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.313 -0.867 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' B' ' 33' ' ' GLY . 0.1 OUTLIER -79.31 -34.26 42.52 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.58 60.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.909 . . . . 0.0 110.237 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -101.86 -36.84 8.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.332 -0.855 . . . . 0.0 110.195 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.5 26.72 5.63 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' ASP . . . -122.76 -123.92 2.91 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.231 -1.158 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.22 0.533 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.0 -38.08 0.05 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -118.38 10.79 12.85 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.173 -1.192 . . . . 0.0 110.301 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 140.77 26.57 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.213 -0.929 . . . . 0.0 110.362 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 41.4 m-85 -128.07 121.9 30.8 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.313 -0.867 . . . . 0.0 109.906 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.422 ' OG1' ' OE1' ' B' ' 8' ' ' GLN . 19.8 m -118.67 143.92 46.52 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.127 -0.983 . . . . 0.0 110.386 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.544 ' O ' HG23 ' B' ' 6' ' ' THR . 5.8 mt -122.93 156.74 34.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.852 . . . . 0.0 110.209 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -122.39 141.22 51.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 110.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.855 HG23 HD11 ' B' ' 25' ' ' LEU . 3.3 mt -134.67 149.43 29.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.252 -0.905 . . . . 0.0 110.337 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.2 24.84 8.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.359 -0.838 . . . . 0.0 110.028 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.689 ' H ' HG22 ' A' ' 9' ' ' ILE . . . -140.14 124.65 2.72 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.72 -48.34 64.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -1.137 . . . . 0.0 110.345 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.71 -36.31 46.29 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.238 -0.914 . . . . 0.0 110.455 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HB3' HD12 ' B' ' 25' ' ' LEU . 0.0 OUTLIER -83.07 -38.09 22.98 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.261 -0.899 . . . . 0.0 109.589 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' B' ' 5' ' ' PHE . 65.6 t80 -52.64 -48.18 66.57 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.324 -0.86 . . . . 0.0 109.381 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' PHE . 3.1 mt-10 -44.4 -34.67 2.1 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.349 -0.845 . . . . 0.0 109.282 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -70.2 -51.65 29.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.806 . . . . 0.0 109.958 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' B' ' 21' ' ' ARG . 78.6 m-85 -59.14 -59.45 5.45 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.248 -0.908 . . . . 0.0 109.986 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PHE . 11.8 tpt180 -43.18 -52.27 5.64 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.164 -0.96 . . . . 0.0 109.84 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -44.27 -55.71 4.69 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.234 -0.916 . . . . 0.0 109.413 179.436 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.636 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . 0.0 OUTLIER -53.51 -42.32 67.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.349 179.229 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 21' ' ' ARG . 2.0 t-20 -43.88 -54.26 5.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.39 -0.819 . . . . 0.0 109.334 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -55.04 -49.9 70.42 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.398 -0.814 . . . . 0.0 109.363 179.238 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' N ' ' OE1' ' A' ' 23' ' ' GLU . . . -61.94 -42.35 99.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.355 -0.841 . . . . 0.0 109.633 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.892 HD11 HG23 ' B' ' 9' ' ' ILE . 6.0 tt -51.72 -42.71 62.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.321 -0.862 . . . . 0.0 109.619 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' N ' HD23 ' A' ' 25' ' ' LEU . 37.0 tp10 -60.26 -53.69 54.72 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.304 -0.872 . . . . 0.0 109.575 179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -64.96 -27.45 68.84 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 109.852 179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 6.3 tptt -66.4 -32.88 74.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.318 -0.864 . . . . 0.0 110.168 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.69 -29.64 32.93 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.292 -0.88 . . . . 0.0 110.115 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.28 0.69 24.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.615 ' OE1' ' HB2' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -139.31 165.1 28.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.214 -0.929 . . . . 0.0 110.299 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.615 ' HB2' ' OE1' ' A' ' 31' ' ' GLN . . . 53.42 -89.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.278 -0.889 . . . . 0.0 110.188 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 31' ' ' GLN . . . 100.36 -33.5 6.29 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.244 -1.151 . . . . 0.0 110.15 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.286 0.565 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.91 -38.31 0.05 OUTLIER Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -118.06 10.61 13.08 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.2 -1.177 . . . . 0.0 110.384 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -146.18 140.96 26.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.143 -0.973 . . . . 0.0 110.411 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.547 ' HB3' ' CD1' ' A' ' 15' ' ' PHE . 40.2 m-85 -128.33 121.16 28.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.974 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 7' ' ' LEU . 19.4 m -117.89 144.05 45.78 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.234 -0.917 . . . . 0.0 110.366 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 18' ' ' PHE . 5.6 mt -123.14 156.75 34.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.301 -0.874 . . . . 0.0 110.219 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.422 ' OE1' ' OG1' ' A' ' 6' ' ' THR . 4.4 mt-30 -122.34 140.98 52.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 25' ' ' LEU . 3.3 mt -134.61 149.58 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.316 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.58 24.87 8.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.245 -0.909 . . . . 0.0 110.004 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.683 ' H ' HG22 ' B' ' 9' ' ' ILE . . . -139.87 124.7 2.77 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -68.78 -48.76 62.85 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.236 -1.155 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.84 -38.2 47.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 110.062 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 -39.24 26.09 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.338 -0.851 . . . . 0.0 109.995 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 16' ' ' GLU . 63.8 t80 -51.35 -48.51 62.42 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.168 -0.958 . . . . 0.0 109.634 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' PHE . 3.1 mt-10 -43.93 -34.75 1.76 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.358 -0.839 . . . . 0.0 109.52 179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -70.41 -51.0 32.71 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.399 -0.813 . . . . 0.0 109.915 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 79.1 m-85 -60.43 -57.98 10.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.214 -0.929 . . . . 0.0 109.905 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 18' ' ' PHE . 11.8 tpt180 -44.39 -51.69 8.37 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.667 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' B' ' 19' ' ' ARG . 0.0 OUTLIER -44.59 -55.35 5.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.275 -0.89 . . . . 0.0 109.499 179.486 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -53.71 -42.02 67.61 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.325 -0.859 . . . . 0.0 109.364 179.287 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' B' ' 21' ' ' ARG . 1.9 t-20 -44.25 -54.13 5.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.324 -0.86 . . . . 0.0 109.333 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' B' ' 24' ' ' ALA . 0.0 OUTLIER -55.33 -48.45 74.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.374 -0.829 . . . . 0.0 109.506 179.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.414 ' N ' ' OE1' ' B' ' 23' ' ' GLU . . . -63.4 -42.06 98.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.611 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.855 HD11 HG23 ' A' ' 9' ' ' ILE . 5.9 tt -51.84 -42.38 62.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.27 -0.894 . . . . 0.0 109.596 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.454 ' N ' HD23 ' B' ' 25' ' ' LEU . 37.3 tp10 -60.35 -53.28 59.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.318 -0.864 . . . . 0.0 109.696 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' B' ' 31' ' ' GLN . 0.1 OUTLIER -65.53 -27.79 68.71 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.263 -0.898 . . . . 0.0 109.731 179.519 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.457 ' O ' ' HD2' ' B' ' 28' ' ' LYS . 6.0 tptt -65.8 -32.87 74.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.391 -0.818 . . . . 0.0 110.072 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.2 -28.7 31.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.206 -0.934 . . . . 0.0 110.231 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.24 0.6 27.92 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 110.224 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.618 ' OE1' ' HB2' ' B' ' 32' ' ' ALA . 0.6 OUTLIER -139.27 165.0 28.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 110.243 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.618 ' HB2' ' OE1' ' B' ' 31' ' ' GLN . . . 53.53 -89.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.204 -0.935 . . . . 0.0 110.164 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' B' ' 31' ' ' GLN . . . 100.49 -33.5 6.31 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 tttt . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.283 -1.128 . . . . 0.0 110.161 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.74 -138.06 2.39 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.536 -1.425 . . . . 0.0 109.536 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -143.28 0.18 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.246 -1.15 . . . . 0.0 110.184 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 31.9 p90 -146.38 -171.37 3.72 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.916 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' CZ ' ' HD3' ' B' ' 12' ' ' ARG . 61.0 m-85 -133.04 170.22 15.69 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.275 -0.891 . . . . 0.0 110.217 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.485 HG23 ' O ' ' B' ' 7' ' ' LEU . 14.0 m -159.06 158.07 32.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.494 HD11 ' HD2' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -138.25 152.41 48.55 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.295 -0.878 . . . . 0.0 110.091 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.69 130.34 52.84 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.225 -0.922 . . . . 0.0 110.338 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 15' ' ' PHE . 2.7 mp -125.8 165.84 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.267 -0.896 . . . . 0.0 109.992 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' N ' HG22 ' A' ' 9' ' ' ILE . 1.7 ttt180 -125.38 -31.22 3.05 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.171 -0.955 . . . . 0.0 110.504 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.35 125.74 8.64 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.984 -1.646 . . . . 0.0 108.984 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -72.36 -17.67 61.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.256 -1.143 . . . . 0.0 110.395 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -53.31 59.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.229 -0.919 . . . . 0.0 110.414 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.879 ' CB ' HD12 ' B' ' 25' ' ' LEU . 33.8 ptt180 -82.62 -34.11 27.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.21 -0.931 . . . . 0.0 109.759 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.71 ' HB2' HG21 ' A' ' 9' ' ' ILE . 6.2 t80 -56.9 -48.95 77.02 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.029 -1.045 . . . . 0.0 109.284 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -48.29 -40.53 25.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.379 -0.826 . . . . 0.0 109.202 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 1.1 mp0 -58.93 -42.75 90.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.419 -0.801 . . . . 0.0 109.293 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.54 ' CZ ' ' HA ' ' B' ' 22' ' ' ASN . 21.7 m-30 -68.64 -54.26 17.48 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.39 -0.819 . . . . 0.0 109.97 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' HD2' HD11 ' B' ' 7' ' ' LEU . 5.2 tpt180 -42.87 -65.08 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.179 -0.951 . . . . 0.0 109.8 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -50.09 -35.91 27.29 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.246 -0.909 . . . . 0.0 109.382 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -67.89 -48.27 66.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.436 -0.79 . . . . 0.0 109.643 179.438 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' HA ' ' CZ ' ' B' ' 18' ' ' PHE . 33.8 t30 -44.58 -48.42 10.33 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.297 -0.877 . . . . 0.0 109.694 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.15 -49.24 78.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.954 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.75 -58.3 7.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.0 109.862 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.873 HD12 ' CB ' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -60.01 -36.87 78.14 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.852 . . . . 0.0 109.922 179.74 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 22' ' ' ASN . 28.8 tt0 -50.01 -48.98 52.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.166 -0.959 . . . . 0.0 109.533 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 31' ' ' GLN . 3.7 mt -68.79 -30.08 68.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.334 -0.854 . . . . 0.0 109.88 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -63.74 -33.81 76.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.033 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.407 ' OD2' ' HB3' ' B' ' 14' ' ' ARG . 0.2 OUTLIER -82.22 -46.57 13.55 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.27 -0.894 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.73 -17.21 33.19 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.267 -0.896 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -103.69 -1.16 28.5 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.26 -0.9 . . . . 0.0 110.325 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 33' ' ' GLY . . . 48.97 50.84 17.16 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.283 -0.886 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -44.21 -28.8 1.46 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.274 -1.133 . . . . 0.0 110.216 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 t0 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.269 0.557 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.97 -138.02 2.38 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.54 -143.31 0.18 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.25 -1.147 . . . . 0.0 110.209 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -146.38 -171.41 3.73 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.298 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.505 ' CZ ' ' HD3' ' A' ' 12' ' ' ARG . 61.4 m-85 -132.95 170.45 15.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.272 -0.893 . . . . 0.0 110.161 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 7' ' ' LEU . 13.4 m -159.29 158.07 31.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.883 . . . . 0.0 110.199 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -138.24 152.21 48.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.255 -0.903 . . . . 0.0 110.195 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -122.51 130.1 52.69 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.204 -0.935 . . . . 0.0 110.375 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.713 HG21 ' HB2' ' B' ' 15' ' ' PHE . 2.7 mp -125.68 164.98 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.309 -0.87 . . . . 0.0 109.959 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.459 ' N ' HG22 ' B' ' 9' ' ' ILE . 1.7 ttt180 -124.02 -32.75 3.21 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -96.76 125.88 8.63 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' B' ' 15' ' ' PHE . 0.0 OUTLIER -71.88 -18.42 62.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -1.146 . . . . 0.0 110.286 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -54.25 49.13 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 110.126 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.873 ' CB ' HD12 ' A' ' 25' ' ' LEU . 33.8 ptt180 -81.6 -34.61 30.85 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 110.081 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.713 ' HB2' HG21 ' B' ' 9' ' ' ILE . 6.7 t80 -56.51 -49.16 75.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.032 -1.042 . . . . 0.0 109.42 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -47.82 -40.65 21.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.318 -0.864 . . . . 0.0 109.305 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' B' ' 14' ' ' ARG . 1.1 mp0 -59.41 -41.76 90.24 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.403 -0.811 . . . . 0.0 109.46 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 22' ' ' ASN . 22.2 m-30 -69.56 -53.01 21.01 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.494 ' HD2' HD11 ' A' ' 7' ' ' LEU . 5.2 tpt180 -44.0 -65.05 0.55 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.23 -0.919 . . . . 0.0 109.573 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -50.09 -35.71 26.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.245 -0.909 . . . . 0.0 109.432 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.1 OUTLIER -68.04 -48.16 66.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.339 -0.85 . . . . 0.0 109.671 179.469 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 33.3 t30 -44.47 -48.58 10.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.34 -0.85 . . . . 0.0 109.752 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.21 -49.28 77.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.308 -0.87 . . . . 0.0 109.911 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -58.02 8.85 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.255 -0.903 . . . . 0.0 109.888 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.879 HD12 ' CB ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -60.36 -36.69 78.6 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.778 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' B' ' 22' ' ' ASN . 28.6 tt0 -50.09 -48.41 53.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.177 -0.952 . . . . 0.0 109.602 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' B' ' 31' ' ' GLN . 3.7 mt -69.35 -29.87 67.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.837 . . . . 0.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' B' ' 25' ' ' LEU . 0.5 OUTLIER -63.96 -33.03 74.8 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.373 -0.83 . . . . 0.0 109.962 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.21 -46.48 12.64 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.249 -0.907 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.69 -17.26 33.0 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -0.899 . . . . 0.0 110.394 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -103.64 -1.23 28.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.125 -0.984 . . . . 0.0 110.33 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' B' ' 33' ' ' GLY . . . 49.02 50.96 17.05 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.229 -0.919 . . . . 0.0 110.228 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' B' ' 32' ' ' ALA . . . -44.28 -29.0 1.55 Allowed Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.232 -1.158 . . . . 0.0 110.247 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.203 0.525 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 3' ' ' GLU . . . -121.89 130.62 8.12 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 1.7 tt0 -178.9 -177.65 0.5 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -1.156 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 35.1 p90 -143.24 177.65 8.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.292 -0.88 . . . . 0.0 110.206 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.534 ' CZ ' ' HB2' ' B' ' 12' ' ' ARG . 69.8 m-85 -127.77 145.7 50.83 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.274 -0.891 . . . . 0.0 110.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' B' ' 8' ' ' GLN . 1.8 t -124.18 138.33 54.43 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.218 -0.926 . . . . 0.0 110.193 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' B' ' 19' ' ' ARG . 0.6 OUTLIER -131.28 130.13 42.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -121.18 135.54 55.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.304 -0.873 . . . . 0.0 110.056 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.576 HG22 ' N ' ' A' ' 10' ' ' ARG . 3.5 mt -131.14 171.43 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.576 ' N ' HG22 ' A' ' 9' ' ' ILE . 3.8 ttt180 -124.34 84.14 2.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.268 -0.895 . . . . 0.0 110.162 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 135.4 2.46 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 15' ' ' PHE . 3.5 ttt180 -87.19 -12.42 46.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.248 -1.148 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.57 -55.78 24.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.897 . . . . 0.0 110.43 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.69 ' HB2' HD12 ' B' ' 25' ' ' LEU . 1.7 ptp180 -82.67 -33.74 27.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.196 -0.94 . . . . 0.0 109.59 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 12' ' ' ARG . 52.6 t80 -61.03 -56.63 18.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.294 -0.879 . . . . 0.0 110.069 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -43.19 -27.82 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 109.578 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -73.42 -46.69 47.1 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.391 -0.818 . . . . 0.0 109.445 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' B' ' 22' ' ' ASN . 17.8 m-85 -70.92 -44.38 66.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.298 -0.876 . . . . 0.0 109.839 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 11.0 tpt180 -49.38 -60.55 2.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.19 -0.944 . . . . 0.0 109.939 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.13 -46.09 72.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 109.868 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' GLN . 3.9 mmt180 -63.86 -45.49 89.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.281 -0.887 . . . . 0.0 109.958 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' HA ' ' CE2' ' B' ' 18' ' ' PHE . 2.7 t-20 -43.3 -53.29 5.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.366 -0.833 . . . . 0.0 109.59 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -57.31 -53.29 59.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.21 82.27 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.859 . . . . 0.0 109.561 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' B' ' 14' ' ' ARG . 0.5 OUTLIER -66.8 -40.09 87.98 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.36 -0.838 . . . . 0.0 109.618 179.369 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.83 -49.96 14.68 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.216 -0.928 . . . . 0.0 109.529 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.98 -38.79 83.12 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.381 -0.824 . . . . 0.0 109.857 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' CD ' ' HA3' ' A' ' 33' ' ' GLY . 14.4 tppt? -52.13 -32.05 33.77 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.26 -0.9 . . . . 0.0 110.047 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.4 -42.41 18.65 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.268 -0.895 . . . . 0.0 110.231 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.0 5.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.305 -0.872 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 70.8 mt-30 -108.76 26.52 10.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.261 -0.899 . . . . 0.0 110.334 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 34' ' ' LYS . . . 56.75 49.85 13.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.924 . . . . 0.0 110.299 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.544 ' HA3' ' CD ' ' A' ' 28' ' ' LYS . . . -65.72 69.21 0.12 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.228 -1.16 . . . . 0.0 110.204 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.232 0.539 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' B' ' 3' ' ' GLU . . . -122.0 130.59 8.09 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 2' ' ' GLY . 1.8 tt0 -178.77 -177.26 0.5 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.261 -1.141 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' B' ' 4' ' ' TYR . 35.2 p90 -143.49 177.85 8.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.282 -0.886 . . . . 0.0 110.208 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 12' ' ' ARG . 70.1 m-85 -128.04 145.43 50.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.254 -0.904 . . . . 0.0 110.194 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -123.95 138.27 54.49 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.257 -0.902 . . . . 0.0 110.217 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.21 130.03 42.41 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.276 -0.89 . . . . 0.0 110.24 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 6.1 mt-30 -121.0 135.53 55.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.269 -0.894 . . . . 0.0 110.089 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.596 HG22 ' N ' ' B' ' 10' ' ' ARG . 3.5 mt -131.11 171.57 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.19 -0.944 . . . . 0.0 110.331 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.596 ' N ' HG22 ' B' ' 9' ' ' ILE . 3.8 ttt180 -124.54 84.1 2.24 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.275 -0.891 . . . . 0.0 110.154 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.62 135.73 2.5 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 5' ' ' PHE . 3.4 ttt180 -87.4 -12.88 44.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.282 -1.128 . . . . 0.0 110.191 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.87 -57.41 11.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.224 -0.922 . . . . 0.0 110.109 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.655 ' HB2' HD12 ' A' ' 25' ' ' LEU . 1.9 ptp180 -81.25 -33.28 32.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.217 -0.927 . . . . 0.0 109.981 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.479 ' HB3' ' HA ' ' B' ' 12' ' ' ARG . 53.3 t80 -61.68 -55.81 26.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.24 -0.912 . . . . 0.0 110.1 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.49 ' HG3' ' N ' ' B' ' 17' ' ' GLN . 0.0 OUTLIER -43.69 -26.29 0.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.916 . . . . 0.0 109.761 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.49 ' N ' ' HG3' ' B' ' 16' ' ' GLU . 1.0 OUTLIER -75.34 -45.59 38.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.286 -0.884 . . . . 0.0 109.517 179.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.521 ' CE2' ' HA ' ' A' ' 22' ' ' ASN . 19.2 m-85 -72.5 -42.76 64.48 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.312 -0.868 . . . . 0.0 109.774 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' B' ' 22' ' ' ASN . 11.2 tpt180 -50.57 -59.64 3.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.755 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -45.59 74.95 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.261 -0.899 . . . . 0.0 109.747 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' B' ' 17' ' ' GLN . 3.8 mmt180 -64.32 -45.53 87.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.291 -0.881 . . . . 0.0 109.891 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.525 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 2.7 t-20 -42.94 -53.49 4.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.379 -0.825 . . . . 0.0 109.678 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -57.36 -52.35 65.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.292 -0.88 . . . . 0.0 109.481 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.94 86.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.306 -0.871 . . . . 0.0 109.477 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -67.06 -39.61 86.93 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.372 -0.83 . . . . 0.0 109.596 179.421 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -46.35 -48.97 18.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.207 -0.933 . . . . 0.0 109.625 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -38.26 78.68 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.321 -0.862 . . . . 0.0 109.739 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.528 ' CD ' ' HA3' ' B' ' 33' ' ' GLY . 14.5 tppt? -52.59 -31.01 34.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.301 -0.874 . . . . 0.0 109.918 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.85 -42.06 16.81 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.313 -0.867 . . . . 0.0 110.157 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.04 -20.65 6.73 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.222 -0.924 . . . . 0.0 110.282 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.463 ' O ' ' HB3' ' B' ' 32' ' ' ALA . 70.9 mt-30 -108.89 26.46 10.56 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.236 -0.915 . . . . 0.0 110.19 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 34' ' ' LYS . . . 56.69 49.93 13.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.255 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.528 ' HA3' ' CD ' ' B' ' 28' ' ' LYS . . . -65.78 69.12 0.12 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 32' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.315 -1.109 . . . . 0.0 110.215 -179.962 . . . . . . . . 2 2 . 1 stop_ save_