data_1r7d_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 1r7d _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.53 -43.71 80.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.438 -0.789 . . . . 10.0 110.185 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.0 p -71.58 -38.79 70.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.466 -0.771 . . . . 10.0 110.033 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.37 -38.81 85.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -30.12 65.6 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.293 -0.88 . . . . 10.0 109.994 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -34.58 25.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 10.0 110.825 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -85.61 -43.63 13.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.141 -0.974 . . . . 10.0 110.886 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -54.67 -51.04 66.75 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.403 -0.811 . . . . 10.0 110.008 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.794 -0.566 . . . . 10.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -75.42 -44.78 42.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.27 -0.894 . . . . 10.0 110.381 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.94 68.37 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.666 -0.646 . . . . 10.0 111.008 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 tttp . . . . . 0 N--CA 1.498 1.938 0 O-C-N 121.333 -0.854 . . . . 10.0 110.717 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.62 -49.41 76.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.437 -0.789 . . . . 10.0 109.372 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -65.57 -37.78 87.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.612 -0.68 . . . . 10.0 109.302 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.19 -40.98 94.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.726 -0.609 . . . . 10.0 109.596 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -44.34 61.61 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.667 -0.646 . . . . 10.0 109.892 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.45 96.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.732 -0.605 . . . . 10.0 109.853 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -74.54 -36.85 63.15 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.391 -0.818 . . . . 10.0 110.076 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -54.89 -49.79 70.34 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.562 -0.711 . . . . 10.0 109.718 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -37.32 80.51 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.869 -0.519 . . . . 10.0 110.172 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -65.4 -42.57 92.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.408 -0.808 . . . . 10.0 109.859 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.95 -10.28 59.3 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.495 -0.753 . . . . 10.0 110.829 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 tptt . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.095 -1.003 . . . . 10.0 110.302 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.51 82.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.582 -0.699 . . . . 10.0 109.761 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -60.03 -43.91 94.98 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.594 -0.692 . . . . 10.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.05 -32.93 61.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.675 -0.641 . . . . 10.0 109.751 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.61 -42.06 32.9 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.601 -0.687 . . . . 10.0 110.181 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -62.23 -39.21 92.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.699 -0.626 . . . . 10.0 110.217 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -84.02 -39.99 18.96 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.358 -0.839 . . . . 10.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.55 -46.58 80.63 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.751 . . . . 10.0 109.629 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.57 -42.26 98.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.6 . . . . 10.0 109.791 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.86 -37.05 81.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.366 -0.834 . . . . 10.0 109.711 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.71 81.56 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 10.0 110.362 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.1 tttt . . . . . 0 N--CA 1.498 1.967 0 O-C-N 121.3 -0.875 . . . . 10.0 110.428 179.655 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 121.103 0.478 . . . . 10.0 109.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 tp -76.65 -42.46 41.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.376 -0.827 . . . . 10.0 110.109 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -40.99 76.51 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.429 -0.795 . . . . 10.0 110.111 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.75 -31.69 73.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.516 -0.74 . . . . 10.0 110.353 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -44.04 52.45 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.386 -0.821 . . . . 10.0 109.955 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.11 -45.68 90.85 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.748 -0.595 . . . . 10.0 109.919 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -69.89 -37.93 76.17 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.415 -0.803 . . . . 10.0 110.219 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -53.77 -50.17 66.63 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.626 -0.671 . . . . 10.0 109.694 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.08 -39.73 90.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.876 -0.515 . . . . 10.0 110.071 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -64.6 -41.85 95.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.45 -0.781 . . . . 10.0 109.962 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.84 82.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.603 -0.686 . . . . 10.0 110.456 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 10.0 110.505 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 121.039 0.447 . . . . 10.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -74.25 -41.96 60.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.53 -0.731 . . . . 10.0 109.77 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -69.4 -40.1 77.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.478 -0.764 . . . . 10.0 110.325 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.19 -39.28 75.31 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.386 -0.821 . . . . 10.0 110.712 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -37.26 62.57 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.234 -0.916 . . . . 10.0 110.341 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.86 -39.92 94.32 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.543 -0.723 . . . . 10.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 t -87.66 -27.07 22.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.126 -0.984 . . . . 10.0 110.393 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -60.15 -51.68 68.55 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.18 -0.95 . . . . 10.0 109.255 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -38.77 89.88 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 120.479 -0.488 . . . . 10.0 110.103 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -64.39 -40.75 96.42 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.532 -0.73 . . . . 10.0 109.93 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.46 73.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.709 . . . . 10.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.413 -0.804 . . . . 10.0 110.163 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 64.6 t . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.86 -46.23 37.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 10.0 110.182 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -66.66 -40.45 88.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.372 -0.83 . . . . 10.0 109.791 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.9 -31.97 68.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.652 -0.655 . . . . 10.0 109.889 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -51.3 -45.3 62.13 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.769 . . . . 10.0 110.195 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -47.67 78.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.601 -0.687 . . . . 10.0 110.784 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 p -68.87 -36.4 78.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.208 -0.933 . . . . 10.0 109.944 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -58.38 -49.13 78.34 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.514 -0.741 . . . . 10.0 109.13 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -33.41 73.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.866 -0.521 . . . . 10.0 110.204 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -70.25 -16.49 63.04 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.101 -0.999 . . . . 10.0 110.594 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.1 -31.78 9.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.297 -0.877 . . . . 10.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.213 -0.929 . . . . 10.0 111.56 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -58.43 -50.99 71.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.541 -0.724 . . . . 10.0 110.312 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -63.36 -39.1 93.62 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 10.0 109.464 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -43.38 87.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.654 -0.654 . . . . 10.0 109.404 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.93 -37.43 63.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.535 -0.728 . . . . 10.0 109.799 179.138 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -33.7 76.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 10.0 110.263 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.37 -41.97 10.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.242 -0.911 . . . . 10.0 109.94 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.53 -48.71 76.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.694 -0.629 . . . . 10.0 109.815 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.0 mm? -64.62 -39.05 93.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.742 -0.599 . . . . 10.0 109.958 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.91 -37.05 83.63 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.48 -0.762 . . . . 10.0 109.883 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -31.97 65.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.576 -0.703 . . . . 10.0 110.434 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.386 -0.821 . . . . 10.0 110.483 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.67 0.271 . . . . 10.0 110.39 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.33 92.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.368 -0.832 . . . . 10.0 110.081 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.5 t -69.4 -40.24 77.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.32 -0.862 . . . . 10.0 109.818 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.14 -34.7 68.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.583 -0.698 . . . . 10.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -43.96 14.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.374 -0.829 . . . . 10.0 110.801 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -66.77 -42.74 85.58 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.6 -0.688 . . . . 10.0 110.157 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -75.38 -41.61 55.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.345 -0.847 . . . . 10.0 110.094 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -56.14 -49.47 73.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 10.0 109.8 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.26 -38.86 92.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.866 -0.521 . . . . 10.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -72.25 -42.33 65.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.302 -0.874 . . . . 10.0 110.161 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.53 71.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.504 -0.748 . . . . 10.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.279 -0.888 . . . . 10.0 110.409 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -49.16 78.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 10.0 109.758 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -37.12 70.63 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.385 -0.822 . . . . 10.0 109.527 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.05 -36.21 83.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.574 -0.704 . . . . 10.0 109.895 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -37.98 48.17 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 10.0 110.481 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -61.52 -36.05 79.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.269 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -90.81 -42.25 10.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.389 -0.819 . . . . 10.0 109.973 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -55.32 -46.69 76.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.751 -0.593 . . . . 10.0 110.209 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.78 -40.54 92.08 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.674 -0.641 . . . . 10.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -70.1 -38.77 75.74 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.382 -0.824 . . . . 10.0 109.939 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.26 66.78 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.637 -0.664 . . . . 10.0 110.897 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 N--CA 1.497 1.887 0 O-C-N 121.266 -0.896 . . . . 10.0 110.766 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -44.06 83.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.665 -0.647 . . . . 10.0 110.683 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -61.59 -44.28 97.31 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.466 -0.771 . . . . 10.0 109.723 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.89 -38.0 82.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.582 -0.699 . . . . 10.0 109.482 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -40.77 69.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.652 -0.655 . . . . 10.0 109.266 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -61.69 -45.51 93.66 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -67.86 -38.83 83.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.424 -0.798 . . . . 10.0 109.597 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -56.13 -48.42 76.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.603 -0.685 . . . . 10.0 109.658 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.68 -41.37 94.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.812 -0.555 . . . . 10.0 110.136 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -68.96 -38.26 79.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.429 -0.794 . . . . 10.0 109.764 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.34 90.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.599 -0.688 . . . . 10.0 109.998 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.444 -0.785 . . . . 10.0 110.403 179.498 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -46.92 88.15 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.489 -0.757 . . . . 10.0 109.758 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -74.57 -36.11 63.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 10.0 109.446 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.17 -33.29 75.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.716 -0.615 . . . . 10.0 110.308 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -42.57 26.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.502 -0.749 . . . . 10.0 110.46 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -39.2 89.4 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.64 -0.663 . . . . 10.0 110.196 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.94 -36.35 41.8 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 10.0 109.867 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -54.11 -50.84 65.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.626 -0.671 . . . . 10.0 109.537 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.75 -38.9 87.53 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.815 -0.553 . . . . 10.0 110.19 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -39.82 94.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 10.0 110.088 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.89 -22.87 49.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.443 -0.786 . . . . 10.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tptm . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.186 -0.946 . . . . 10.0 110.742 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.04 -43.97 97.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.349 -0.844 . . . . 10.0 109.892 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -78.0 -39.93 40.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 10.0 109.688 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.54 -25.71 66.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.527 -0.733 . . . . 10.0 110.357 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -36.19 63.01 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.344 -0.848 . . . . 10.0 110.101 179.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -67.14 -36.13 81.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.48 -0.762 . . . . 10.0 110.366 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -89.21 -41.95 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.256 -0.902 . . . . 10.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -57.8 -48.02 80.92 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.489 -0.757 . . . . 10.0 110.089 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.7 mm? -61.1 -41.92 97.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.685 -0.634 . . . . 10.0 110.387 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -73.6 -34.22 64.96 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.26 -0.9 . . . . 10.0 110.099 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -24.97 65.0 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.562 -0.711 . . . . 10.0 110.737 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.789 0 O-C-N 121.3 -0.875 . . . . 10.0 110.667 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.89 -37.74 80.25 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.576 -0.703 . . . . 10.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.67 87.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.337 -0.852 . . . . 10.0 109.354 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.45 -32.98 70.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.629 -0.669 . . . . 10.0 109.464 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 t80 -49.89 -40.59 43.46 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.535 -0.728 . . . . 10.0 109.793 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.97 -45.1 75.11 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.659 -0.65 . . . . 10.0 110.131 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 4.9 m -72.54 -44.16 62.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.514 -0.741 . . . . 10.0 110.517 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.34 96.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.292 -0.88 . . . . 10.0 109.914 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.535 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.7 mm? -66.83 -37.48 84.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.671 -0.643 . . . . 10.0 111.067 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -70.84 -25.35 62.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.05 -1.031 . . . . 10.0 110.553 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . -80.71 -32.7 35.75 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.215 -0.928 . . . . 10.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.535 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.956 0 O-C-N 121.479 -0.763 . . . . 10.0 111.241 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -42.53 86.33 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.668 -0.645 . . . . 10.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 p -62.05 -44.96 95.56 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.312 -0.867 . . . . 10.0 109.953 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.3 -40.71 90.19 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.628 -0.67 . . . . 10.0 109.667 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -36.92 75.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.56 -0.713 . . . . 10.0 109.548 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.74 95.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.74 -0.6 . . . . 10.0 109.881 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -70.11 -36.36 74.79 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 10.0 109.68 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -58.47 -48.45 80.74 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.606 -0.684 . . . . 10.0 109.484 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.23 -37.42 72.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.933 -0.48 . . . . 10.0 110.127 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -40.14 94.82 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.475 -0.766 . . . . 10.0 109.867 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 -33.42 59.64 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.508 -0.745 . . . . 10.0 110.055 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 tptt . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.403 -0.811 . . . . 10.0 110.432 179.868 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.78 -42.85 81.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.438 -0.789 . . . . 10.0 110.227 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -75.02 -41.11 59.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.498 -0.751 . . . . 10.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.43 -24.55 62.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.395 -0.816 . . . . 10.0 110.542 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.09 44.61 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.226 -0.921 . . . . 10.0 110.178 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.33 -47.96 68.98 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.604 -0.685 . . . . 10.0 110.205 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 p -72.79 -36.39 67.6 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.32 -0.863 . . . . 10.0 110.409 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -55.72 -51.89 65.79 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.715 . . . . 10.0 109.613 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -40.31 90.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.814 -0.554 . . . . 10.0 110.454 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -69.37 -39.88 77.77 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.271 -0.893 . . . . 10.0 109.988 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.86 68.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.547 -0.721 . . . . 10.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tttm . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.447 -0.783 . . . . 10.0 110.721 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 120.893 0.378 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.27 -41.52 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.494 -0.754 . . . . 10.0 109.917 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -40.58 98.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.453 -0.78 . . . . 10.0 109.786 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.48 -33.06 74.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 10.0 109.894 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -34.14 24.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.389 -0.819 . . . . 10.0 109.846 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.57 75.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.631 -0.668 . . . . 10.0 109.521 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -77.8 -33.09 52.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.479 -0.763 . . . . 10.0 110.176 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -57.37 -49.82 74.93 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.517 -0.74 . . . . 10.0 109.489 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -41.08 97.13 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.741 -0.599 . . . . 10.0 109.89 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -67.92 -34.72 77.16 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.567 -0.708 . . . . 10.0 109.922 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.64 68.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.599 -0.688 . . . . 10.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.003 0 O-C-N 121.374 -0.828 . . . . 10.0 110.198 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 120.942 0.401 . . . . 10.0 109.945 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -44.22 95.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.803 . . . . 10.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 p -58.07 -40.72 81.73 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 109.927 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.13 -37.84 53.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.536 -0.728 . . . . 10.0 109.603 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -48.78 12.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.748 -0.595 . . . . 10.0 110.579 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -63.71 -43.56 96.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.551 -0.718 . . . . 10.0 110.412 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 m -70.87 -38.18 73.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.326 -0.859 . . . . 10.0 109.955 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -54.47 -48.24 72.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.62 -0.675 . . . . 10.0 109.861 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -43.86 90.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.781 -0.574 . . . . 10.0 110.421 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -40.05 84.69 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.492 -0.755 . . . . 10.0 110.239 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -26.82 67.33 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.537 -0.727 . . . . 10.0 110.552 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttt . . . . . 0 N--CA 1.497 1.901 0 O-C-N 121.324 -0.86 . . . . 10.0 110.703 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.924 0.392 . . . . 10.0 110.119 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.96 -48.08 72.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 10.0 110.306 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.65 83.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.31 -0.869 . . . . 10.0 110.083 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -35.52 78.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.558 -0.714 . . . . 10.0 110.141 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -48.61 41.21 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.533 -0.729 . . . . 10.0 110.381 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -63.53 -44.82 93.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 10.0 110.356 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 m -70.17 -37.78 75.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.407 -0.808 . . . . 10.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -54.91 -50.18 69.43 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.719 . . . . 10.0 109.607 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.86 -41.67 95.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.815 -0.553 . . . . 10.0 110.33 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -66.55 -45.24 80.06 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.39 -0.819 . . . . 10.0 110.345 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.72 73.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.402 -0.811 . . . . 10.0 110.545 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.395 -0.816 . . . . 10.0 110.558 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 10.0 109.42 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -67.91 -38.15 82.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.597 -0.689 . . . . 10.0 109.145 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.05 -42.28 89.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 10.0 109.737 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.15 -47.66 23.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.779 -0.576 . . . . 10.0 110.137 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.27 -46.58 86.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.582 -0.699 . . . . 10.0 109.993 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.79 -35.49 77.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.534 -0.729 . . . . 10.0 110.146 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -56.7 -47.48 79.82 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.646 -0.659 . . . . 10.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.94 -44.21 96.7 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.912 -0.492 . . . . 10.0 110.015 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -66.54 -41.3 88.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.8 . . . . 10.0 109.999 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.35 -29.46 68.19 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.529 -0.732 . . . . 10.0 110.359 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.346 -0.846 . . . . 10.0 110.687 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 94.5 t . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.12 -33.84 75.22 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.449 -0.782 . . . . 10.0 110.411 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.2 -36.39 13.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.37 -0.831 . . . . 10.0 110.094 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.17 -31.78 70.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.27 -0.894 . . . . 10.0 110.502 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -49.72 -44.58 48.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.447 -0.783 . . . . 10.0 109.98 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -61.98 -44.84 95.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.922 -0.486 . . . . 10.0 110.052 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -71.34 -40.2 70.85 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.436 -0.79 . . . . 10.0 109.994 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -56.33 -46.99 79.66 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.512 -0.743 . . . . 10.0 109.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -40.03 87.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.738 -0.601 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -70.87 -44.25 66.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.901 . . . . 10.0 110.172 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.5 94.87 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.596 -0.69 . . . . 10.0 110.284 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tttp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.381 -0.825 . . . . 10.0 110.084 179.487 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.19 98.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.461 -0.775 . . . . 10.0 109.655 179.265 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -76.05 -39.95 54.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.452 -0.78 . . . . 10.0 109.649 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.96 -29.98 69.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.604 -0.685 . . . . 10.0 110.535 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -39.83 32.14 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.34 -0.85 . . . . 10.0 110.196 179.497 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -45.91 77.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.595 -0.69 . . . . 10.0 110.455 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 p -75.69 -42.52 50.81 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 10.0 110.258 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -54.5 -54.11 45.42 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.699 -0.625 . . . . 10.0 109.9 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.06 -31.4 71.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.752 -0.593 . . . . 10.0 110.512 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.621 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -69.51 -33.7 73.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.158 -0.964 . . . . 10.0 109.955 179.324 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.86 -46.16 46.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.734 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.419 -0.8 . . . . 10.0 110.376 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 N--CA 1.497 1.918 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -37.84 74.42 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.59 -0.694 . . . . 10.0 110.097 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -61.18 -45.97 92.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.598 -0.689 . . . . 10.0 109.492 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -43.02 74.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.649 -0.657 . . . . 10.0 109.258 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -40.42 60.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.816 -0.552 . . . . 10.0 109.966 179.422 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -57.72 -43.47 85.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.647 -0.658 . . . . 10.0 109.812 179.183 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 -37.94 34.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 179.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -56.34 -50.4 71.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.43 -34.46 78.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.831 -0.543 . . . . 10.0 110.409 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -34.26 77.38 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.288 -0.883 . . . . 10.0 110.116 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.81 -33.6 68.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.391 -0.818 . . . . 10.0 110.017 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 10.0 110.49 -179.996 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.83 -40.41 88.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 10.0 109.842 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -43.13 98.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.52 -0.737 . . . . 10.0 109.41 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.27 -37.64 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.64 -0.663 . . . . 10.0 109.461 178.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -41.81 35.55 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.669 -0.644 . . . . 10.0 110.271 179.603 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -42.92 98.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.187 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.67 -44.81 16.63 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.436 -0.79 . . . . 10.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -46.43 67.74 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.562 -0.711 . . . . 10.0 110.085 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 -43.61 98.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.725 -0.61 . . . . 10.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -70.1 -34.96 73.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -0.841 . . . . 10.0 109.817 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.97 -16.54 61.79 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.768 -0.582 . . . . 10.0 110.889 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.24 -0.913 . . . . 10.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -38.17 79.24 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.731 -0.606 . . . . 10.0 109.516 178.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -46.93 85.28 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.45 -41.77 84.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.609 -0.682 . . . . 10.0 109.412 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -42.01 64.6 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.681 -0.637 . . . . 10.0 109.997 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -59.3 -38.1 79.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.649 -0.657 . . . . 10.0 110.371 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -87.39 -39.57 15.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.323 -0.861 . . . . 10.0 110.088 179.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -57.75 -46.02 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.541 -0.724 . . . . 10.0 109.974 179.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.94 -41.11 95.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.705 -0.622 . . . . 10.0 110.233 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.4 -32.12 66.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.332 -0.855 . . . . 10.0 110.052 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.18 75.32 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.43 -0.794 . . . . 10.0 110.188 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tttm . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.383 -0.823 . . . . 10.0 110.589 179.913 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.52 -43.95 76.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.293 -0.879 . . . . 10.0 109.765 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 t -64.32 -39.58 94.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.387 -0.821 . . . . 10.0 109.245 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.81 -36.95 76.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.61 -0.681 . . . . 10.0 109.976 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -41.46 41.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 10.0 110.128 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -59.63 -42.47 92.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.659 -0.651 . . . . 10.0 109.526 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -78.18 -40.55 37.35 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 10.0 109.495 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -54.32 -48.49 71.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.771 -0.581 . . . . 10.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.43 98.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.663 -0.648 . . . . 10.0 109.863 179.378 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -35.54 80.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -0.798 . . . . 10.0 110.056 179.218 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.06 66.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 10.0 110.445 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tptt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.331 -0.856 . . . . 10.0 110.272 179.326 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.613 0.244 . . . . 10.0 110.664 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.44 -46.32 37.51 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.362 -0.837 . . . . 10.0 110.468 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.6 p -73.14 -40.43 64.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.301 -0.874 . . . . 10.0 109.721 178.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.53 -34.45 72.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.746 -0.596 . . . . 10.0 110.399 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -38.9 56.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.454 -0.778 . . . . 10.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -60.17 -42.73 95.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.439 -0.788 . . . . 10.0 110.224 179.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.76 18.63 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -0.772 . . . . 10.0 110.379 179.729 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -49.89 75.59 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 10.0 109.886 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.22 -34.31 77.37 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.672 -0.643 . . . . 10.0 109.955 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -39.38 94.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.359 -0.838 . . . . 10.0 109.718 179.19 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 -22.74 58.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.544 -0.722 . . . . 10.0 110.57 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.283 -0.886 . . . . 10.0 111.212 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.7 -40.08 71.91 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.621 -0.674 . . . . 10.0 110.194 179.643 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -61.79 -43.58 98.56 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.468 -0.77 . . . . 10.0 109.556 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -72.02 -34.92 69.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.457 -0.777 . . . . 10.0 109.392 178.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -39.97 63.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 10.0 109.581 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -47.84 83.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.29 -38.18 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.589 -0.694 . . . . 10.0 109.765 179.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -54.75 -49.26 71.26 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.701 -0.624 . . . . 10.0 109.562 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.07 -34.2 77.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.846 -0.534 . . . . 10.0 110.07 179.323 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.46 -39.43 87.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.464 -0.772 . . . . 10.0 109.897 179.233 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.31 -28.1 59.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 10.0 110.074 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 N--CA 1.499 1.976 0 O-C-N 121.468 -0.77 . . . . 10.0 110.866 179.573 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 N--CA 1.499 1.977 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.75 -43.81 97.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -62.15 -40.81 97.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.575 -0.703 . . . . 10.0 109.609 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.586 -0.696 . . . . 10.0 109.617 179.204 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -40.39 74.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.695 -0.628 . . . . 10.0 109.578 179.01 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -63.26 -42.1 99.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.766 -0.584 . . . . 10.0 109.551 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -70.68 -36.1 73.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.741 . . . . 10.0 109.649 179.195 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.491 ' CZ3' ' HD2' ' A' ' 26' ' ' LYS . 2.1 t90 -54.84 -49.2 71.66 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.803 -0.56 . . . . 10.0 109.802 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -71.88 -37.06 70.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.772 -0.58 . . . . 10.0 110.063 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -39.78 94.92 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.305 -0.872 . . . . 10.0 109.676 179.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.576 -0.703 . . . . 10.0 110.061 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HD2' ' CZ3' ' A' ' 22' ' ' TRP . 8.8 mtpt . . . . . 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.326 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.37 -36.0 79.01 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.592 -0.693 . . . . 10.0 109.761 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -70.68 -44.04 67.85 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.428 -0.795 . . . . 10.0 109.149 178.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.06 -27.08 68.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.577 -0.702 . . . . 10.0 109.842 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -35.18 63.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.37 -0.831 . . . . 10.0 109.61 178.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -59.0 -49.27 78.54 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 10.0 109.154 178.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -39.75 75.84 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.431 -0.793 . . . . 10.0 109.089 178.401 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -56.73 -51.83 67.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 10.0 109.62 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -34.81 74.58 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.786 -0.571 . . . . 10.0 110.039 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -36.36 80.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.435 -0.79 . . . . 10.0 109.847 179.23 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.73 -28.85 33.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.544 -0.723 . . . . 10.0 109.762 178.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.541 -0.724 . . . . 10.0 110.571 179.217 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 120.801 0.334 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.89 -46.1 71.29 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.386 -0.821 . . . . 10.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -60.77 -43.36 98.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 10.0 109.876 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.12 -33.65 65.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.521 -0.737 . . . . 10.0 109.979 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -45.25 61.96 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.605 -0.684 . . . . 10.0 110.172 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -44.18 94.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.606 -0.684 . . . . 10.0 109.98 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -68.8 -38.49 79.99 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.524 -0.735 . . . . 10.0 109.906 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.693 . . . . 10.0 109.666 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.75 -37.08 70.58 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.832 -0.543 . . . . 10.0 110.57 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -70.44 -34.95 73.05 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 10.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.4 -10.19 54.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.97 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 10.0 110.798 -179.69 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 120.968 0.413 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -45.2 89.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.509 -0.745 . . . . 10.0 110.667 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -61.67 -40.85 96.41 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.391 -0.818 . . . . 10.0 109.95 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.27 -40.02 71.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.449 -0.782 . . . . 10.0 109.4 178.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -37.53 71.01 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 10.0 109.486 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -57.8 -45.55 85.91 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.772 -0.58 . . . . 10.0 109.549 178.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -70.44 -34.8 72.88 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.474 -0.766 . . . . 10.0 109.772 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -55.26 -49.51 71.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.595 -0.69 . . . . 10.0 109.506 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.84 -36.13 79.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 109.999 179.244 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -44.23 92.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.438 -0.788 . . . . 10.0 109.882 179.37 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.5 78.46 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.688 -0.632 . . . . 10.0 110.212 179.41 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tttm . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.504 -0.747 . . . . 10.0 110.143 179.428 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -45.37 92.9 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.558 -0.714 . . . . 10.0 110.26 179.695 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -62.29 -41.04 98.16 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.356 -0.84 . . . . 10.0 109.6 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.57 -42.55 78.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.615 -0.678 . . . . 10.0 109.695 179.04 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.82 -44.62 49.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.709 -0.619 . . . . 10.0 110.42 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -37.4 87.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.711 -0.618 . . . . 10.0 110.549 179.732 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 m -82.88 -33.78 26.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -56.64 -49.51 74.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.595 -0.691 . . . . 10.0 109.603 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -35.53 80.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.806 -0.559 . . . . 10.0 110.179 179.443 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.13 -32.39 63.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.387 -0.821 . . . . 10.0 110.7 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.8 -34.5 19.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.358 -0.839 . . . . 10.0 111.008 -179.558 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm . . . . . 0 N--CA 1.496 1.863 0 O-C-N 121.236 -0.915 . . . . 10.0 110.964 -179.483 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 120.628 0.252 . . . . 10.0 110.508 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.9 -45.67 78.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.46 -0.775 . . . . 10.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.5 -0.75 . . . . 10.0 109.778 179.512 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.14 -44.35 80.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.485 -0.759 . . . . 10.0 109.517 179.063 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.16 -41.98 28.36 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.697 -0.627 . . . . 10.0 110.328 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.26 -42.57 98.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.588 -0.695 . . . . 10.0 110.542 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -84.57 -40.16 17.89 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 10.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -56.43 -44.2 80.16 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.577 -0.702 . . . . 10.0 110.141 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.82 -37.62 84.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.812 -0.555 . . . . 10.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -77.94 -35.84 49.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.194 -0.941 . . . . 10.0 110.245 179.648 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.5 61.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 tttp . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.236 -0.915 . . . . 10.0 110.624 -179.862 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.44 -44.28 97.4 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.491 -0.755 . . . . 10.0 109.803 179.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -64.45 -39.46 93.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.61 -0.681 . . . . 10.0 109.276 178.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.81 -40.58 79.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.599 -0.688 . . . . 10.0 109.341 178.715 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -44.07 67.19 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.703 -0.623 . . . . 10.0 109.412 179.236 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -62.5 -46.69 87.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.738 -0.602 . . . . 10.0 109.585 178.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -65.69 -39.68 91.51 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.567 -0.708 . . . . 10.0 109.933 179.234 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -54.99 -48.01 73.87 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.622 -0.673 . . . . 10.0 109.496 179.226 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.43 -41.21 89.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.88 -0.513 . . . . 10.0 110.133 179.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.59 -41.94 92.28 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.428 -0.795 . . . . 10.0 109.995 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.89 81.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.519 -0.738 . . . . 10.0 110.399 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.407 -0.808 . . . . 10.0 110.509 179.752 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 121.133 0.492 . . . . 10.0 109.725 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -47.15 76.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.569 -0.707 . . . . 10.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -62.9 -35.88 81.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.36 -0.838 . . . . 10.0 110.11 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.66 -44.75 85.35 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.446 -0.783 . . . . 10.0 109.596 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -38.06 74.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.692 -0.63 . . . . 10.0 109.736 178.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -42.17 99.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.672 -0.642 . . . . 10.0 109.724 179.286 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -77.15 -33.08 56.7 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.502 -0.749 . . . . 10.0 109.875 179.343 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -55.18 -49.64 71.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.536 -0.727 . . . . 10.0 109.481 179.164 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.86 -38.68 89.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.891 -0.506 . . . . 10.0 110.007 179.219 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -63.18 -42.03 99.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.469 -0.769 . . . . 10.0 109.845 179.34 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.12 80.57 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.602 -0.686 . . . . 10.0 110.014 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.513 -0.742 . . . . 10.0 110.21 179.562 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 120.936 0.398 . . . . 10.0 109.946 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.68 -45.32 85.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.455 -0.778 . . . . 10.0 109.948 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -35.96 61.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.535 -0.728 . . . . 10.0 109.541 178.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.6 -37.14 86.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.645 -0.659 . . . . 10.0 110.315 179.539 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -41.39 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.507 -0.746 . . . . 10.0 110.895 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -67.51 -46.46 72.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.44 -0.788 . . . . 10.0 110.4 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 p -75.1 -34.11 61.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.26 -0.9 . . . . 10.0 110.355 179.769 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -56.09 -50.11 71.93 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.486 -0.759 . . . . 10.0 109.682 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.44 -40.7 96.24 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 120.358 -0.537 . . . . 10.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.99 -39.53 93.6 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.505 -0.747 . . . . 10.0 109.866 179.313 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.16 62.31 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.549 -0.719 . . . . 10.0 110.335 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.433 -0.792 . . . . 10.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -39.39 73.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.59 -0.694 . . . . 10.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -61.75 -44.24 97.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.511 -0.743 . . . . 10.0 109.664 179.379 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.54 -45.82 57.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 10.0 109.637 179.08 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -37.42 11.65 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.574 -0.704 . . . . 10.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.28 90.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.461 -0.774 . . . . 10.0 110.356 179.56 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.2 t -87.26 -31.23 20.37 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.312 -0.867 . . . . 10.0 110.022 179.353 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -59.41 -50.46 73.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.494 -0.754 . . . . 10.0 109.008 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.7 -39.71 91.52 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.97 -0.456 . . . . 10.0 109.83 179.185 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -62.2 -44.32 96.84 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.088 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.58 80.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.719 . . . . 10.0 109.91 179.498 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 10.0 110.371 179.477 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.03 -44.58 91.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 10.0 109.613 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -67.0 -36.49 82.27 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.721 . . . . 10.0 109.296 178.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.49 -40.82 69.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.567 -0.708 . . . . 10.0 110.012 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.96 46.15 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.65 -0.657 . . . . 10.0 110.179 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -46.32 90.28 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.689 -0.632 . . . . 10.0 109.664 179.242 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -71.59 -35.93 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.783 . . . . 10.0 109.929 179.458 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.41 -47.59 81.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.534 -0.729 . . . . 10.0 109.525 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -40.93 93.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.931 -0.48 . . . . 10.0 110.288 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -40.69 61.92 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.314 -0.866 . . . . 10.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.35 93.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.49 -0.756 . . . . 10.0 109.993 179.572 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tttm . . . . . 0 N--CA 1.496 1.833 0 O-C-N 121.488 -0.758 . . . . 10.0 110.053 179.171 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -44.78 95.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.539 -0.726 . . . . 10.0 110.387 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -60.82 -44.36 97.0 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.462 -0.774 . . . . 10.0 109.853 179.536 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.93 -40.04 79.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.446 -0.784 . . . . 10.0 109.753 179.179 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -43.34 20.09 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.587 -0.696 . . . . 10.0 110.489 179.728 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -43.94 97.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.579 -0.701 . . . . 10.0 110.157 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -78.11 -41.04 36.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.358 -0.839 . . . . 10.0 110.164 179.657 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -57.67 -41.6 81.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.5 -0.75 . . . . 10.0 110.233 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -19.85 59.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.673 -0.642 . . . . 10.0 111.363 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -99.55 -37.79 9.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.008 -1.058 . . . . 10.0 110.817 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.93 -11.35 60.1 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.273 -0.892 . . . . 10.0 111.394 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 O-C-N 120.949 -1.094 . . . . 10.0 110.497 -179.793 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.619 -0.511 . . . . 10.0 109.619 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -52.25 65.58 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 10.0 109.799 179.502 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -66.06 -38.08 87.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.478 -0.764 . . . . 10.0 109.348 178.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.691 -0.63 . . . . 10.0 109.636 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -43.33 83.93 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.837 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -44.52 94.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.778 -0.576 . . . . 10.0 109.451 179.067 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.7 m -68.37 -35.42 77.69 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.544 -0.722 . . . . 10.0 109.724 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -56.84 -47.59 80.0 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.647 -0.658 . . . . 10.0 109.357 179.019 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.44 -42.91 99.5 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -66.3 -37.51 85.58 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.477 -0.764 . . . . 10.0 109.714 179.076 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.64 64.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.536 -0.728 . . . . 10.0 110.22 179.293 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.358 -0.839 . . . . 10.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -45.43 91.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -65.66 -41.37 92.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.402 -0.811 . . . . 10.0 109.316 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.06 -44.77 83.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.695 -0.628 . . . . 10.0 109.699 179.074 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -38.48 63.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.703 -0.623 . . . . 10.0 109.893 179.457 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -40.19 96.76 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.544 -0.723 . . . . 10.0 109.891 179.097 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -81.28 -36.45 29.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.339 -0.85 . . . . 10.0 109.677 179.366 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -56.44 -50.09 72.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.617 -0.677 . . . . 10.0 109.28 179.05 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.14 -39.51 94.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.86 -0.525 . . . . 10.0 110.052 179.203 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -38.92 90.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.41 -0.806 . . . . 10.0 109.837 179.28 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.69 88.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.509 -0.744 . . . . 10.0 110.308 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.418 -0.802 . . . . 10.0 110.441 179.811 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.92 -40.48 89.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.62 -0.675 . . . . 10.0 109.917 179.271 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -45.88 90.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.422 -0.798 . . . . 10.0 109.465 178.918 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.66 -33.5 66.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.645 -0.659 . . . . 10.0 109.557 178.679 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -34.9 65.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 10.0 109.309 178.87 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -59.87 -42.92 94.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.694 -0.629 . . . . 10.0 109.506 178.842 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -38.31 32.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.544 -0.722 . . . . 10.0 109.38 178.896 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -58.34 -50.19 74.53 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.672 -0.643 . . . . 10.0 109.556 179.073 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -36.09 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.876 -0.515 . . . . 10.0 110.239 179.474 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.26 -39.12 92.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.232 -0.918 . . . . 10.0 110.145 179.663 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.5 88.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.487 -0.758 . . . . 10.0 110.188 179.366 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.423 -0.798 . . . . 10.0 110.362 179.528 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -43.75 98.31 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.482 -0.761 . . . . 10.0 109.039 178.919 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 t -70.22 -38.61 75.28 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.616 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.81 -30.42 69.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.75 -0.593 . . . . 10.0 110.577 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -33.16 20.58 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.296 -0.878 . . . . 10.0 110.451 179.604 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.52 19.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.497 -0.752 . . . . 10.0 109.975 179.207 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -74.28 -42.47 59.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.346 -0.846 . . . . 10.0 110.767 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -55.78 -49.84 72.07 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.406 -0.809 . . . . 10.0 110.075 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.91 -30.98 67.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.712 -0.617 . . . . 10.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.13 -42.66 62.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.448 -0.782 . . . . 10.0 109.879 179.379 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -26.81 68.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.762 . . . . 10.0 110.501 179.383 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt . . . . . 0 N--CA 1.498 1.954 0 O-C-N 121.466 -0.771 . . . . 10.0 110.307 179.66 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -39.03 84.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.575 -0.703 . . . . 10.0 109.935 179.495 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.99 -43.57 98.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.614 -0.678 . . . . 10.0 109.517 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -35.99 62.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.662 178.737 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.27 -46.1 62.32 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.639 -0.663 . . . . 10.0 109.909 179.497 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -62.36 -44.87 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.69 -0.631 . . . . 10.0 110.016 179.394 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -67.36 -40.14 85.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.488 -0.757 . . . . 10.0 109.679 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -56.58 -47.34 79.73 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.335 0.588 . . . . 10.0 109.639 179.118 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -34.3 77.75 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.87 -0.519 . . . . 10.0 110.442 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -38.43 91.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.36 -0.837 . . . . 10.0 110.029 179.683 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.56 74.89 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.644 -0.66 . . . . 10.0 109.97 179.442 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.54 -0.725 . . . . 10.0 110.029 179.582 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -61.9 -39.61 92.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.505 -0.747 . . . . 10.0 109.41 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -62.57 -43.26 99.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.547 -0.721 . . . . 10.0 109.279 178.858 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -71.14 -45.28 63.88 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.596 -0.69 . . . . 10.0 109.546 178.902 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -35.41 16.83 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.586 -0.696 . . . . 10.0 110.364 179.693 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -47.42 77.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.352 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -82.49 -29.0 30.81 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.271 -0.893 . . . . 10.0 110.154 179.553 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -61.06 -46.84 89.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 10.0 109.309 178.884 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.92 -43.29 96.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.893 -0.504 . . . . 10.0 110.097 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -34.32 77.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.547 -0.721 . . . . 10.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.45 78.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.507 -0.746 . . . . 10.0 110.138 179.199 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.405 -0.81 . . . . 10.0 110.622 179.25 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.8 tp -61.9 -50.51 71.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.513 -0.742 . . . . 10.0 109.516 179.413 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.22 -38.3 90.57 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.553 -0.717 . . . . 10.0 109.228 178.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.23 -41.05 90.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.654 -0.654 . . . . 10.0 109.507 178.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -36.1 74.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.382 -0.824 . . . . 10.0 109.535 178.912 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -62.66 -43.41 98.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.724 -0.61 . . . . 10.0 110.153 179.354 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -82.26 -26.35 33.26 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 10.0 110.058 179.346 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -61.55 -48.12 82.43 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.307 -0.87 . . . . 10.0 109.329 178.979 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 mp -65.09 -34.87 79.44 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.86 -0.525 . . . . 10.0 109.912 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -67.18 -32.49 73.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.486 -0.759 . . . . 10.0 109.849 179.159 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.5 58.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.525 -0.734 . . . . 10.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 10.7 ptmt . . . . . 0 N--CA 1.499 1.999 0 O-C-N 121.43 -0.794 . . . . 10.0 110.524 179.787 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.0 t . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 120.953 0.406 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.17 -40.62 67.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.422 -0.799 . . . . 10.0 111.0 -179.715 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 p -60.26 -43.42 96.17 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.313 -0.867 . . . . 10.0 110.024 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.46 -40.4 85.34 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.555 -0.716 . . . . 10.0 109.712 179.128 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.06 71.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.493 -0.754 . . . . 10.0 109.347 178.867 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -42.48 99.07 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.668 -0.645 . . . . 10.0 109.454 178.817 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -74.73 -39.54 61.81 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.473 -0.767 . . . . 10.0 109.291 178.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -57.88 -48.75 78.93 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.324 0.583 . . . . 10.0 109.529 178.945 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.26 -34.72 79.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.93 -0.481 . . . . 10.0 110.563 179.739 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.7 -43.98 97.81 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.237 -0.915 . . . . 10.0 110.24 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.56 73.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.615 -0.678 . . . . 10.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.464 -0.773 . . . . 10.0 111.085 179.826 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.73 -50.22 74.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.495 -0.753 . . . . 10.0 109.526 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -67.58 -36.13 80.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.509 -0.744 . . . . 10.0 109.52 178.806 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.39 -44.63 90.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.614 -0.679 . . . . 10.0 109.752 179.166 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -36.5 73.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.559 -0.713 . . . . 10.0 109.435 178.91 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.75 -38.62 91.78 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.757 -0.589 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -71.66 -36.63 70.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.448 -0.782 . . . . 10.0 109.665 179.124 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.77 -52.87 63.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.593 -0.692 . . . . 10.0 109.411 179.292 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.56 -36.79 85.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.939 -0.475 . . . . 10.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -69.45 -43.14 73.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.513 -0.742 . . . . 10.0 109.806 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.39 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.524 -0.735 . . . . 10.0 110.3 179.357 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.828 0 O-C-N 121.327 -0.858 . . . . 10.0 110.456 179.595 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.065 0.46 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -41.19 40.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 10.0 110.731 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -65.35 -46.88 78.42 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.343 -0.848 . . . . 10.0 110.17 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.81 -33.68 74.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.522 -0.736 . . . . 10.0 110.244 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -38.01 55.27 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.654 -0.654 . . . . 10.0 110.045 179.277 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.41 -49.01 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 10.0 109.683 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 m -65.07 -38.42 90.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.553 -0.717 . . . . 10.0 109.962 179.469 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -55.2 -50.56 69.09 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.572 -0.705 . . . . 10.0 109.645 179.179 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.58 -39.51 84.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.801 -0.562 . . . . 10.0 110.209 179.394 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -65.37 -39.05 91.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.535 -0.728 . . . . 10.0 110.231 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.5 69.02 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.541 -0.724 . . . . 10.0 110.49 179.569 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.285 -0.884 . . . . 10.0 110.624 179.975 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 120.707 0.289 . . . . 10.0 110.409 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.13 -56.38 22.51 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.456 -0.778 . . . . 10.0 110.106 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -64.58 -36.66 84.94 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.416 -0.803 . . . . 10.0 109.717 179.321 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.04 -37.99 89.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.687 . . . . 10.0 110.015 179.294 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -41.44 60.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.519 -0.738 . . . . 10.0 109.732 179.481 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -62.06 -48.64 79.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.818 -0.552 . . . . 10.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -72.75 -32.44 65.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.373 -0.829 . . . . 10.0 110.265 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -56.75 -50.27 72.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.524 -0.735 . . . . 10.0 109.384 179.085 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -40.39 96.62 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 120.518 -0.473 . . . . 10.0 109.83 179.199 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -64.94 -39.9 94.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.515 -0.741 . . . . 10.0 109.783 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.5 -24.44 63.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.513 -0.742 . . . . 10.0 110.258 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptt . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.38 -0.825 . . . . 10.0 110.486 179.753 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.06 -38.4 73.2 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.584 -0.697 . . . . 10.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -44.34 87.82 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.4 -0.813 . . . . 10.0 109.491 179.39 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.83 -43.3 46.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.578 -0.701 . . . . 10.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -42.72 69.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.701 -0.624 . . . . 10.0 109.766 179.456 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -60.23 -43.54 95.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.668 -0.645 . . . . 10.0 109.985 179.166 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -74.26 -39.9 62.7 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.39 -0.819 . . . . 10.0 109.696 179.246 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -57.5 -51.01 71.21 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.669 -0.645 . . . . 10.0 109.449 179.08 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -36.18 81.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.879 -0.513 . . . . 10.0 109.963 179.244 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -59.79 -35.76 75.33 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.486 -0.759 . . . . 10.0 110.209 179.421 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.38 57.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.458 -0.776 . . . . 10.0 110.601 179.645 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 10.0 110.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.1 0.476 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.11 -85.88 1.79 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.551 -1.42 . . . . 10.0 109.551 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.476 ' HB3' ' HB2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -97.96 113.55 25.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.439 -1.036 . . . . 10.0 110.195 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -117.59 -54.94 2.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.488 -0.757 . . . . 10.0 110.438 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.27 -10.8 59.9 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.382 -0.824 . . . . 10.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -47.63 4.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.158 -0.964 . . . . 10.0 109.975 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 6.2 t70 -66.54 -41.07 89.26 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.529 -0.732 . . . . 10.0 110.24 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.2 mt -75.06 -19.37 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.309 -0.869 . . . . 10.0 110.466 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.88 94.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.194 -0.942 . . . . 10.0 110.514 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.82 -40.94 97.02 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.328 -0.857 . . . . 10.0 109.664 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.58 -43.35 85.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.512 -0.743 . . . . 10.0 109.712 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mt -59.01 -33.08 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.495 -0.753 . . . . 10.0 109.675 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.99 -39.26 69.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.501 -0.749 . . . . 10.0 110.082 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.05 -37.23 81.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.4 -0.812 . . . . 10.0 110.245 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.91 -34.15 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.523 -0.736 . . . . 10.0 109.626 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.53 -43.71 80.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.438 -0.789 . . . . 10.0 110.185 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.0 p -71.58 -38.79 70.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.466 -0.771 . . . . 10.0 110.033 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.37 -38.81 85.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -30.12 65.6 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.293 -0.88 . . . . 10.0 109.994 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -34.58 25.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 10.0 110.825 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -85.61 -43.63 13.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.141 -0.974 . . . . 10.0 110.886 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -54.67 -51.04 66.75 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.403 -0.811 . . . . 10.0 110.008 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.794 -0.566 . . . . 10.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -75.42 -44.78 42.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.27 -0.894 . . . . 10.0 110.381 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.94 68.37 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.666 -0.646 . . . . 10.0 111.008 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -60.51 -44.81 95.6 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.333 -0.854 . . . . 10.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tp -114.65 -165.68 1.04 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.31 -0.868 . . . . 10.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.03 150.78 0.12 Allowed Pre-proline 0 N--CA 1.505 2.311 0 O-C-N 121.842 -0.536 . . . . 10.0 111.211 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -74.72 -83.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.744 1.391 . . . . 10.0 110.59 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -79.78 108.93 13.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.226 -0.921 . . . . 10.0 109.628 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.502 2.132 0 CA-C-O 118.761 -0.638 . . . . 10.0 110.3 -179.509 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 120.995 0.426 . . . . 10.0 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 146.74 17.22 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.623 -1.391 . . . . 10.0 109.623 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -79.89 136.74 36.74 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.431 -1.041 . . . . 10.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -108.33 -42.83 4.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.402 -0.811 . . . . 10.0 110.726 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.71 -49.83 69.76 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.46 -0.775 . . . . 10.0 110.577 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -61.3 -37.82 84.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.324 -0.86 . . . . 10.0 110.041 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.7 -39.39 84.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.682 -0.636 . . . . 10.0 110.238 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.8 mt -80.6 -30.73 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.356 -0.84 . . . . 10.0 110.328 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -56.61 -47.66 79.16 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.423 -0.798 . . . . 10.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.74 -39.86 93.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.458 -0.776 . . . . 10.0 109.786 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.92 -40.77 97.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.588 -0.695 . . . . 10.0 109.802 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.5 mt -60.35 -37.45 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.397 -0.815 . . . . 10.0 109.43 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.4 t -70.72 -35.49 72.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 10.0 110.23 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.93 -43.38 75.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.304 -0.873 . . . . 10.0 110.267 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.26 -37.53 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.562 -0.712 . . . . 10.0 109.953 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.62 -49.41 76.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.437 -0.789 . . . . 10.0 109.372 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -65.57 -37.78 87.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.612 -0.68 . . . . 10.0 109.302 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.19 -40.98 94.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.726 -0.609 . . . . 10.0 109.596 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -44.34 61.61 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.667 -0.646 . . . . 10.0 109.892 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.45 96.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.732 -0.605 . . . . 10.0 109.853 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -74.54 -36.85 63.15 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.391 -0.818 . . . . 10.0 110.076 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -54.89 -49.79 70.34 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.562 -0.711 . . . . 10.0 109.718 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -37.32 80.51 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.869 -0.519 . . . . 10.0 110.172 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -65.4 -42.57 92.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.408 -0.808 . . . . 10.0 109.859 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.95 -10.28 59.3 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.495 -0.753 . . . . 10.0 110.829 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -99.38 -52.7 3.43 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.095 -1.003 . . . . 10.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.48 131.05 53.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.377 -0.827 . . . . 10.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.62 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 3.4 ttt -161.61 -61.89 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.664 -0.648 . . . . 10.0 110.716 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 49.9 Cg_endo -73.84 -175.19 1.99 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 O-C-N 123.11 1.058 . . . . 10.0 111.072 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.05 -167.68 0.12 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-O 121.274 0.559 . . . . 10.0 110.937 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 117.957 -1.02 . . . . 10.0 110.281 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.083 0.468 . . . . 10.0 110.391 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.26 -58.39 4.69 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.071 -1.611 . . . . 10.0 109.071 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -81.66 154.52 26.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.506 -0.996 . . . . 10.0 109.896 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.43 -41.33 4.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.469 -0.769 . . . . 10.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.46 -53.74 5.48 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 10.0 110.338 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -60.73 -36.5 79.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.486 -0.759 . . . . 10.0 110.592 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.09 -41.69 97.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.522 -0.737 . . . . 10.0 110.556 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.3 mt -80.0 -35.79 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.895 . . . . 10.0 110.084 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.427 ' HA ' HD12 ' A' ' 12' ' ' ILE . 19.1 t-105 -56.6 -50.61 71.47 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.512 -0.742 . . . . 10.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -44.8 90.17 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.492 -0.755 . . . . 10.0 109.782 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.546 -0.721 . . . . 10.0 110.29 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 9' ' ' TRP . 37.1 mt -59.35 -41.99 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.296 -0.878 . . . . 10.0 109.144 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -66.12 -40.13 90.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.626 -0.671 . . . . 10.0 109.394 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -46.47 89.94 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.578 -0.701 . . . . 10.0 109.4 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.21 -35.82 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.51 82.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.582 -0.699 . . . . 10.0 109.761 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -60.03 -43.91 94.98 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.594 -0.692 . . . . 10.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.05 -32.93 61.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.675 -0.641 . . . . 10.0 109.751 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.61 -42.06 32.9 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.601 -0.687 . . . . 10.0 110.181 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -62.23 -39.21 92.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.699 -0.626 . . . . 10.0 110.217 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -84.02 -39.99 18.96 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.358 -0.839 . . . . 10.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.55 -46.58 80.63 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.751 . . . . 10.0 109.629 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.57 -42.26 98.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.6 . . . . 10.0 109.791 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.86 -37.05 81.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.366 -0.834 . . . . 10.0 109.711 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.71 81.56 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 10.0 110.362 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -68.81 -30.76 69.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.3 -0.875 . . . . 10.0 110.428 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -52.47 5.65 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.351 -0.843 . . . . 10.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 tpt -96.82 116.73 66.19 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 121.391 -0.818 . . . . 10.0 110.221 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.71 -176.43 2.56 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.908 1.478 . . . . 10.0 111.209 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -132.09 142.46 49.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.509 -0.744 . . . . 10.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.867 -1.063 . . . . 10.0 110.405 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.877 0.37 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.84 142.01 3.5 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.578 -1.409 . . . . 10.0 109.578 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 p -102.46 86.2 2.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.441 -1.035 . . . . 10.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -62.34 -35.86 80.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.424 -0.797 . . . . 10.0 110.257 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.78 -46.57 84.39 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.552 -0.717 . . . . 10.0 109.995 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -37.63 72.19 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.558 -0.714 . . . . 10.0 109.877 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.82 -39.2 93.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.631 -0.668 . . . . 10.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -76.84 -48.13 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 10.0 109.948 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 7.8 m95 -57.17 -45.9 83.28 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 10.0 110.058 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.12 -42.83 99.61 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.647 -0.658 . . . . 10.0 110.113 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -60.39 -41.61 94.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 10.0 109.934 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.0 -34.44 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.473 -0.767 . . . . 10.0 109.429 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.8 t -69.16 -37.52 78.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.516 -0.74 . . . . 10.0 109.99 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -39.62 78.23 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.496 -0.752 . . . . 10.0 110.177 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.43 -33.29 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.683 -0.636 . . . . 10.0 109.954 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 tp -76.65 -42.46 41.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.376 -0.827 . . . . 10.0 110.109 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -40.99 76.51 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.429 -0.795 . . . . 10.0 110.111 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.75 -31.69 73.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.516 -0.74 . . . . 10.0 110.353 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -44.04 52.45 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.386 -0.821 . . . . 10.0 109.955 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.11 -45.68 90.85 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.748 -0.595 . . . . 10.0 109.919 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -69.89 -37.93 76.17 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.415 -0.803 . . . . 10.0 110.219 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -53.77 -50.17 66.63 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.626 -0.671 . . . . 10.0 109.694 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.08 -39.73 90.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.876 -0.515 . . . . 10.0 110.071 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -64.6 -41.85 95.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.45 -0.781 . . . . 10.0 109.962 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.84 82.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.603 -0.686 . . . . 10.0 110.456 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.36 -29.73 66.47 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 10.0 110.505 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 48.42 0.87 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.375 -0.828 . . . . 10.0 110.148 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 tpp -124.6 121.1 25.81 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 10.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 30' ' ' GLN . 46.8 Cg_endo -75.33 -178.53 4.3 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.815 1.429 . . . . 10.0 110.962 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER 70.19 -65.91 0.3 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 122.005 -0.435 . . . . 10.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.153 0 CA-C-O 118.197 -0.906 . . . . 10.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 121.006 0.431 . . . . 10.0 110.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.34 -98.16 1.24 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.572 -1.411 . . . . 10.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.27 67.79 1.19 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.484 -1.01 . . . . 10.0 110.134 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.11 77.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.373 -0.83 . . . . 10.0 110.447 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -38.77 82.0 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.433 -0.792 . . . . 10.0 110.095 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -67.93 -40.23 83.37 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.405 -0.809 . . . . 10.0 109.65 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.28 -40.07 73.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.696 -0.628 . . . . 10.0 110.306 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mt -78.87 -32.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 10.0 110.323 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -52.88 -52.42 57.5 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.492 -0.755 . . . . 10.0 110.665 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.89 -40.47 88.83 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.435 -0.791 . . . . 10.0 109.945 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -63.14 -39.25 94.12 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.496 -0.753 . . . . 10.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mt -60.92 -38.94 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.424 -0.797 . . . . 10.0 109.17 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -68.79 -33.02 73.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.675 -0.641 . . . . 10.0 109.747 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -67.79 -44.94 76.21 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.537 -0.727 . . . . 10.0 109.953 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.7 t -59.76 -37.85 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.874 -0.516 . . . . 10.0 109.947 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -74.25 -41.96 60.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.53 -0.731 . . . . 10.0 109.77 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -69.4 -40.1 77.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.478 -0.764 . . . . 10.0 110.325 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.19 -39.28 75.31 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.386 -0.821 . . . . 10.0 110.712 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -37.26 62.57 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.234 -0.916 . . . . 10.0 110.341 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.86 -39.92 94.32 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.543 -0.723 . . . . 10.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.3 t -87.66 -27.07 22.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.126 -0.984 . . . . 10.0 110.393 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -60.15 -51.68 68.55 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.18 -0.95 . . . . 10.0 109.255 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -38.77 89.88 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 120.479 -0.488 . . . . 10.0 110.103 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -64.39 -40.75 96.42 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.532 -0.73 . . . . 10.0 109.93 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.46 73.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.709 . . . . 10.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -38.37 65.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.413 -0.804 . . . . 10.0 110.163 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.92 129.81 19.42 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.405 -0.81 . . . . 10.0 110.678 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtm -141.66 82.79 13.66 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.427 -0.796 . . . . 10.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.87 -176.47 2.62 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 O-C-N 123.852 1.449 . . . . 10.0 111.131 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -89.96 176.88 6.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.512 -0.743 . . . . 10.0 110.31 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.396 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.103 0.478 . . . . 10.0 110.328 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.52 -110.67 2.08 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.344 -1.503 . . . . 10.0 109.344 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 100.22 8.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.5 -1.0 . . . . 10.0 110.057 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.24 -36.44 4.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.454 -0.779 . . . . 10.0 110.552 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.82 -24.85 65.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.459 -0.776 . . . . 10.0 110.682 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -54.76 -47.42 73.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.351 -0.843 . . . . 10.0 110.632 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.02 -35.0 75.72 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.45 -0.781 . . . . 10.0 110.187 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.7 mt -78.81 -36.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.349 -0.845 . . . . 10.0 110.295 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.413 ' HA ' ' HE3' ' A' ' 9' ' ' TRP . 4.3 t-105 -55.24 -50.74 68.68 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.42 -0.8 . . . . 10.0 110.465 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -60.95 -42.73 98.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.407 -0.808 . . . . 10.0 109.448 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -59.36 -41.15 88.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.678 -0.639 . . . . 10.0 109.755 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mt -61.51 -34.64 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.47 -0.769 . . . . 10.0 109.645 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -70.03 -39.91 75.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 10.0 110.073 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -36.98 83.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.452 -0.78 . . . . 10.0 110.198 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 64.6 t -66.66 -30.5 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.631 -0.668 . . . . 10.0 109.614 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.86 -46.23 37.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 10.0 110.182 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -66.66 -40.45 88.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.372 -0.83 . . . . 10.0 109.791 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.9 -31.97 68.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.652 -0.655 . . . . 10.0 109.889 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -51.3 -45.3 62.13 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.769 . . . . 10.0 110.195 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -47.67 78.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.601 -0.687 . . . . 10.0 110.784 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 p -68.87 -36.4 78.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.208 -0.933 . . . . 10.0 109.944 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -58.38 -49.13 78.34 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.514 -0.741 . . . . 10.0 109.13 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -33.41 73.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.866 -0.521 . . . . 10.0 110.204 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 1.7 tttt -70.25 -16.49 63.04 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.101 -0.999 . . . . 10.0 110.594 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.1 -31.78 9.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.297 -0.877 . . . . 10.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -37.2 6.16 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.213 -0.929 . . . . 10.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -34.2 34.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.125 -0.984 . . . . 10.0 111.032 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.475 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -55.48 -52.39 72.19 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.413 -0.805 . . . . 10.0 111.13 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 28' ' ' MET . 45.0 Cg_endo -72.84 -178.1 3.27 Favored 'Trans proline' 0 N--CA 1.486 1.072 0 O-C-N 123.392 1.206 . . . . 10.0 110.932 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -129.42 40.49 3.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.486 -0.759 . . . . 10.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 118.169 -0.919 . . . . 10.0 110.261 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.034 0.445 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.68 78.12 0.24 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.562 -1.415 . . . . 10.0 109.562 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.13 43.67 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.5 -1.0 . . . . 10.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -25.85 9.39 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.397 -0.815 . . . . 10.0 110.596 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.404 HD22 ' HB2' ' A' ' 9' ' ' TRP . 4.6 tt -60.91 -42.64 98.46 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.381 -0.825 . . . . 10.0 110.359 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -61.38 -38.56 87.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.375 -0.828 . . . . 10.0 110.16 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.16 -39.55 93.1 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.57 -0.706 . . . . 10.0 110.607 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.6 mt -82.74 -46.65 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.325 -0.859 . . . . 10.0 110.78 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.404 ' HB2' HD22 ' A' ' 5' ' ' LEU . 30.4 t-105 -60.77 -40.25 91.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.24 -0.912 . . . . 10.0 110.672 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.0 -45.04 96.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 10.0 110.025 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.33 -37.2 84.81 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.535 -0.728 . . . . 10.0 110.158 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.0 mt -59.11 -38.48 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.37 -0.831 . . . . 10.0 109.286 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.06 -37.06 66.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.566 -0.709 . . . . 10.0 109.524 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.32 -41.86 98.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.662 -0.649 . . . . 10.0 109.966 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.1 -35.49 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.646 -0.659 . . . . 10.0 109.734 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -58.43 -50.99 71.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.541 -0.724 . . . . 10.0 110.312 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -63.36 -39.1 93.62 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 10.0 109.464 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -43.38 87.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.654 -0.654 . . . . 10.0 109.404 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.93 -37.43 63.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.535 -0.728 . . . . 10.0 109.799 179.138 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -33.7 76.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 10.0 110.263 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.37 -41.97 10.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.242 -0.911 . . . . 10.0 109.94 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.53 -48.71 76.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.694 -0.629 . . . . 10.0 109.815 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.0 mm? -64.62 -39.05 93.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.742 -0.599 . . . . 10.0 109.958 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.91 -37.05 83.63 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.48 -0.762 . . . . 10.0 109.883 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -31.97 65.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.576 -0.703 . . . . 10.0 110.434 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -64.82 -35.64 81.76 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.386 -0.821 . . . . 10.0 110.483 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.58 -178.52 4.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.338 -0.851 . . . . 10.0 110.184 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 68.64 145.19 0.1 Allowed Pre-proline 0 N--CA 1.504 2.228 0 O-C-N 121.934 -0.479 . . . . 10.0 111.004 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -76.21 -169.25 0.66 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 O-C-N 123.622 1.327 . . . . 10.0 110.714 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -42.03 92.32 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.474 -0.766 . . . . 10.0 110.253 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.157 179.798 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.036 0.446 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.28 -177.74 53.3 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.99 -1.244 . . . . 10.0 109.99 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.5 12.16 13.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.332 -1.099 . . . . 10.0 111.044 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -137.81 41.82 2.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.152 -0.967 . . . . 10.0 110.064 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 8' ' ' ILE . 16.7 tp -97.35 -33.53 11.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.359 -0.838 . . . . 10.0 110.437 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.26 66.67 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.326 -0.859 . . . . 10.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -98.84 -34.19 10.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 10.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.425 ' CG2' ' HA ' ' A' ' 5' ' ' LEU . 8.2 tt -72.68 -26.75 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.172 -0.955 . . . . 10.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -59.64 -50.3 74.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.167 -0.958 . . . . 10.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.52 -38.45 90.01 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.562 -0.711 . . . . 10.0 109.45 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -68.77 -40.43 79.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.575 -0.703 . . . . 10.0 109.707 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mt -57.04 -38.43 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.575 -0.703 . . . . 10.0 109.216 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.07 -37.41 75.48 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.604 -0.685 . . . . 10.0 109.55 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.11 -46.09 88.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.429 -0.794 . . . . 10.0 109.723 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.79 -27.97 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.768 -0.582 . . . . 10.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.33 92.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.368 -0.832 . . . . 10.0 110.081 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.5 t -69.4 -40.24 77.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.32 -0.862 . . . . 10.0 109.818 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.14 -34.7 68.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.583 -0.698 . . . . 10.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -43.96 14.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.374 -0.829 . . . . 10.0 110.801 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -66.77 -42.74 85.58 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.6 -0.688 . . . . 10.0 110.157 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -75.38 -41.61 55.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.345 -0.847 . . . . 10.0 110.094 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -56.14 -49.47 73.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 10.0 109.8 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.26 -38.86 92.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.866 -0.521 . . . . 10.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -72.25 -42.33 65.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.302 -0.874 . . . . 10.0 110.161 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.53 71.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.504 -0.748 . . . . 10.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -91.71 -47.9 7.11 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.279 -0.888 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.12 88.83 7.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.425 -0.797 . . . . 10.0 110.207 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 mmm -123.65 102.3 35.75 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.76 -0.588 . . . . 10.0 109.958 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -72.96 173.72 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 O-C-N 123.765 1.403 . . . . 10.0 111.164 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.41 166.41 10.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.687 -0.633 . . . . 10.0 110.261 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.828 -1.082 . . . . 10.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.923 0.392 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.75 -174.69 46.49 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.706 -1.358 . . . . 10.0 109.706 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -144.06 116.99 8.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -1.048 . . . . 10.0 110.056 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.534 ' CE3' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -123.29 28.2 7.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 10.0 110.725 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.19 -61.53 1.03 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.198 -0.939 . . . . 10.0 110.103 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -66.73 -48.36 69.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.504 -0.748 . . . . 10.0 110.001 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.66 -36.9 84.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.672 -0.642 . . . . 10.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 HG13 ' CE3' ' A' ' 4' ' ' TRP . 48.0 mm -71.28 -35.65 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.391 -0.818 . . . . 10.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -57.68 -52.97 63.25 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.365 -0.834 . . . . 10.0 110.263 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -32.71 69.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.414 -0.804 . . . . 10.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.18 -42.26 89.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.384 -0.823 . . . . 10.0 109.901 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.67 -37.19 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.488 -0.758 . . . . 10.0 109.477 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -70.71 -35.29 72.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.538 -0.726 . . . . 10.0 109.995 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -42.57 89.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.44 -0.787 . . . . 10.0 109.922 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.86 -34.11 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.095 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -49.16 78.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 10.0 109.758 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -37.12 70.63 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.385 -0.822 . . . . 10.0 109.527 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.05 -36.21 83.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.574 -0.704 . . . . 10.0 109.895 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -37.98 48.17 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 10.0 110.481 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -61.52 -36.05 79.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.269 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -90.81 -42.25 10.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.389 -0.819 . . . . 10.0 109.973 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -55.32 -46.69 76.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.751 -0.593 . . . . 10.0 110.209 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.78 -40.54 92.08 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.674 -0.641 . . . . 10.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -70.1 -38.77 75.74 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.382 -0.824 . . . . 10.0 109.939 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.26 66.78 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.637 -0.664 . . . . 10.0 110.897 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -98.12 -24.86 15.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.266 -0.896 . . . . 10.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.43 -32.08 69.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.242 -0.911 . . . . 10.0 110.761 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.4 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -64.92 -56.36 21.53 Favored Pre-proline 0 N--CA 1.5 2.062 0 O-C-N 121.441 -0.787 . . . . 10.0 111.022 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 28' ' ' MET . 47.3 Cg_endo -73.32 -169.8 0.57 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 O-C-N 123.532 1.28 . . . . 10.0 111.228 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 132.09 46.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.477 -0.764 . . . . 10.0 110.0 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 118.338 -0.839 . . . . 10.0 110.788 -179.741 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.094 0.474 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.78 115.06 3.32 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.643 -1.383 . . . . 10.0 109.643 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -141.66 169.69 17.12 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.491 -1.005 . . . . 10.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -34.01 75.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 10.0 110.603 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.76 -42.41 88.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.341 -0.849 . . . . 10.0 109.858 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -36.68 83.39 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.393 -0.817 . . . . 10.0 109.367 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.07 -37.08 76.23 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.646 -0.659 . . . . 10.0 109.94 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.45 -40.82 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.442 -0.786 . . . . 10.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.3 t-105 -56.74 -42.2 78.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.509 -0.744 . . . . 10.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.94 -45.35 90.66 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.37 -0.831 . . . . 10.0 109.689 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -68.64 -38.54 80.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.604 -0.685 . . . . 10.0 109.914 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 mt -57.07 -38.75 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.396 -0.815 . . . . 10.0 109.152 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -70.03 -37.03 75.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 10.0 109.333 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -36.64 78.74 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.671 -0.643 . . . . 10.0 109.722 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.53 -33.97 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.612 -0.68 . . . . 10.0 109.827 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -44.06 83.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.665 -0.647 . . . . 10.0 110.683 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -61.59 -44.28 97.31 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.466 -0.771 . . . . 10.0 109.723 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.89 -38.0 82.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.582 -0.699 . . . . 10.0 109.482 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -40.77 69.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.652 -0.655 . . . . 10.0 109.266 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -61.69 -45.51 93.66 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -67.86 -38.83 83.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.424 -0.798 . . . . 10.0 109.597 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -56.13 -48.42 76.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.603 -0.685 . . . . 10.0 109.658 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.68 -41.37 94.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.812 -0.555 . . . . 10.0 110.136 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -68.96 -38.26 79.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.429 -0.794 . . . . 10.0 109.764 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.34 90.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.599 -0.688 . . . . 10.0 109.998 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -71.04 -30.19 66.3 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.444 -0.785 . . . . 10.0 110.403 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -27.13 67.57 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.508 -0.745 . . . . 10.0 110.594 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 ttt -62.68 127.78 90.8 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.368 -0.833 . . . . 10.0 110.227 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -73.43 -173.57 1.35 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 O-C-N 123.88 1.463 . . . . 10.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -83.26 94.12 7.84 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.564 -0.71 . . . . 10.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.373 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.089 0.471 . . . . 10.0 110.485 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.27 -115.18 0.55 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.593 -1.403 . . . . 10.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -108.71 57.04 0.61 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.458 -1.025 . . . . 10.0 110.126 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.96 55.73 2.87 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.283 -0.886 . . . . 10.0 110.422 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.87 -43.14 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.862 . . . . 10.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -37.33 67.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.453 -0.78 . . . . 10.0 110.68 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.18 -43.22 92.16 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.443 -0.786 . . . . 10.0 110.258 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.54 -29.43 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.37 -0.831 . . . . 10.0 110.049 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.456 ' HA ' HD11 ' A' ' 12' ' ' ILE . 27.8 t-105 -54.25 -46.42 72.59 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.544 -0.722 . . . . 10.0 110.504 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.03 -44.66 96.23 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.432 -0.792 . . . . 10.0 109.758 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -58.87 -40.55 84.69 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.46 -0.775 . . . . 10.0 109.807 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 9' ' ' TRP . 44.4 mt -60.2 -38.69 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.481 -0.762 . . . . 10.0 109.277 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.1 t -68.62 -34.56 75.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.581 -0.699 . . . . 10.0 109.738 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.01 -40.95 87.4 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.581 -0.699 . . . . 10.0 110.043 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t -66.47 -33.95 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.581 -0.699 . . . . 10.0 109.722 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -46.92 88.15 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.489 -0.757 . . . . 10.0 109.758 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -74.57 -36.11 63.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 10.0 109.446 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.17 -33.29 75.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.716 -0.615 . . . . 10.0 110.308 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -42.57 26.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.502 -0.749 . . . . 10.0 110.46 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -39.2 89.4 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.64 -0.663 . . . . 10.0 110.196 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.94 -36.35 41.8 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 10.0 109.867 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -54.11 -50.84 65.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.626 -0.671 . . . . 10.0 109.537 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.75 -38.9 87.53 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.815 -0.553 . . . . 10.0 110.19 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -39.82 94.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 10.0 110.088 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.89 -22.87 49.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.443 -0.786 . . . . 10.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -78.77 -41.87 29.44 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.186 -0.946 . . . . 10.0 110.742 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.78 128.49 34.91 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 10.0 110.476 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.476 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -167.56 -61.65 0.01 OUTLIER Pre-proline 0 N--CA 1.499 1.984 0 O-C-N 121.606 -0.684 . . . . 10.0 110.556 179.75 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' CD ' ' CB ' ' A' ' 28' ' ' MET . 46.0 Cg_endo -73.37 -93.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.081 0 O-C-N 123.387 1.204 . . . . 10.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 53.46 75.3 0.26 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.436 -0.79 . . . . 10.0 110.562 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 118.449 -0.786 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.829 0.347 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.11 -55.51 3.09 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.693 -1.363 . . . . 10.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -134.17 -162.63 1.27 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.51 -0.994 . . . . 10.0 110.297 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.85 -46.27 3.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.403 -0.81 . . . . 10.0 110.292 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.34 -51.38 6.61 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.406 -0.809 . . . . 10.0 110.693 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -63.39 -37.34 86.91 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.373 -0.829 . . . . 10.0 110.719 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.24 93.47 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.38 -0.825 . . . . 10.0 110.204 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.55 -45.1 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.388 -0.82 . . . . 10.0 109.904 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -60.5 -46.46 90.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.526 -0.734 . . . . 10.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.81 -41.69 98.08 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.504 -0.748 . . . . 10.0 109.95 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -63.48 -40.4 97.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.377 -0.827 . . . . 10.0 110.101 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.9 mt -60.16 -35.26 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.421 -0.8 . . . . 10.0 109.13 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.91 -41.42 71.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.602 -0.686 . . . . 10.0 109.791 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.15 -38.77 86.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.476 -0.765 . . . . 10.0 109.737 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.13 -31.79 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.661 -0.65 . . . . 10.0 109.679 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.04 -43.97 97.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.349 -0.844 . . . . 10.0 109.892 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -78.0 -39.93 40.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 10.0 109.688 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.54 -25.71 66.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.527 -0.733 . . . . 10.0 110.357 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -36.19 63.01 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.344 -0.848 . . . . 10.0 110.101 179.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -67.14 -36.13 81.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.48 -0.762 . . . . 10.0 110.366 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -89.21 -41.95 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.256 -0.902 . . . . 10.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -57.8 -48.02 80.92 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.489 -0.757 . . . . 10.0 110.089 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.7 mm? -61.1 -41.92 97.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.685 -0.634 . . . . 10.0 110.387 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -73.6 -34.22 64.96 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.26 -0.9 . . . . 10.0 110.099 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -24.97 65.0 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.562 -0.711 . . . . 10.0 110.737 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.63 -27.51 12.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.3 -0.875 . . . . 10.0 110.667 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -38.53 65.6 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.245 -0.909 . . . . 10.0 110.481 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.45 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 33.7 mtp -57.1 -54.35 55.57 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.583 -0.698 . . . . 10.0 111.047 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 28' ' ' MET . 45.2 Cg_endo -72.78 -170.03 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 O-C-N 123.531 1.28 . . . . 10.0 111.041 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.46 -170.66 2.81 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 10.0 110.485 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.076 179.797 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.143 0.497 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.45 85.84 1.24 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.356 -1.498 . . . . 10.0 109.356 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 129.12 51.43 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.537 -0.978 . . . . 10.0 110.457 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -77.4 -10.52 59.51 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.528 -0.732 . . . . 10.0 110.684 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -29.25 66.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.319 -0.863 . . . . 10.0 110.631 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.57 84.78 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.395 -0.816 . . . . 10.0 110.14 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.84 -44.23 90.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.499 -0.75 . . . . 10.0 109.521 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.0 mt -59.54 -43.36 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.579 -0.701 . . . . 10.0 109.267 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -64.06 -35.91 82.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.683 -0.636 . . . . 10.0 109.727 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.84 -44.8 96.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.665 -0.647 . . . . 10.0 109.89 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.54 -39.87 85.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.584 -0.698 . . . . 10.0 109.675 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.44 -36.77 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.556 -0.715 . . . . 10.0 109.191 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 t -69.72 -35.07 74.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.585 -0.697 . . . . 10.0 109.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.63 -42.81 99.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.441 -0.787 . . . . 10.0 109.602 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.22 -28.74 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.703 -0.623 . . . . 10.0 109.871 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.89 -37.74 80.25 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.576 -0.703 . . . . 10.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.67 87.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.337 -0.852 . . . . 10.0 109.354 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.45 -32.98 70.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.629 -0.669 . . . . 10.0 109.464 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.46 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 t80 -49.89 -40.59 43.46 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.535 -0.728 . . . . 10.0 109.793 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.97 -45.1 75.11 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.659 -0.65 . . . . 10.0 110.131 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 4.9 m -72.54 -44.16 62.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.514 -0.741 . . . . 10.0 110.517 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.34 96.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.292 -0.88 . . . . 10.0 109.914 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.535 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.7 mm? -66.83 -37.48 84.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.671 -0.643 . . . . 10.0 111.067 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -70.84 -25.35 62.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.05 -1.031 . . . . 10.0 110.553 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . -80.71 -32.7 35.75 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.215 -0.928 . . . . 10.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.535 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -84.59 -8.53 58.87 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.479 -0.763 . . . . 10.0 111.241 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -49.21 8.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.163 -0.961 . . . . 10.0 110.645 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.6 mtt -88.27 116.05 65.07 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.538 -0.726 . . . . 10.0 110.394 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.66 -169.28 0.64 Allowed 'Trans proline' 0 C--N 1.315 -1.194 0 O-C-N 123.734 1.386 . . . . 10.0 110.778 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.47 52.01 1.86 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 10.0 110.177 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 117.792 -1.099 . . . . 10.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.919 0.39 . . . . 10.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.59 60.33 0.66 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.422 -1.471 . . . . 10.0 109.422 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -164.99 170.98 14.55 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.551 -0.97 . . . . 10.0 110.415 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.78 -50.76 3.33 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.755 . . . . 10.0 109.935 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.79 -46.67 11.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.39 -0.819 . . . . 10.0 109.972 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -56.94 -39.67 74.98 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.44 -0.787 . . . . 10.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.9 -47.95 81.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.608 -0.682 . . . . 10.0 110.146 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.74 -31.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.442 -0.786 . . . . 10.0 110.071 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.425 ' HA ' HD13 ' A' ' 12' ' ' ILE . 4.1 m95 -57.48 -36.34 71.35 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.384 -0.822 . . . . 10.0 110.061 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -44.05 97.75 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.568 -0.708 . . . . 10.0 109.5 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -66.85 -38.81 87.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.581 -0.699 . . . . 10.0 109.78 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 9' ' ' TRP . 66.0 mt -60.79 -35.3 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.338 -0.851 . . . . 10.0 109.385 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -70.85 -37.7 73.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 10.0 109.981 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -35.25 77.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.421 -0.799 . . . . 10.0 109.932 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.15 -34.66 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 10.0 109.735 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -42.53 86.33 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.668 -0.645 . . . . 10.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 p -62.05 -44.96 95.56 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.312 -0.867 . . . . 10.0 109.953 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.3 -40.71 90.19 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.628 -0.67 . . . . 10.0 109.667 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -36.92 75.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.56 -0.713 . . . . 10.0 109.548 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.74 95.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.74 -0.6 . . . . 10.0 109.881 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -70.11 -36.36 74.79 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 10.0 109.68 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -58.47 -48.45 80.74 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.606 -0.684 . . . . 10.0 109.484 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.23 -37.42 72.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.933 -0.48 . . . . 10.0 110.127 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -40.14 94.82 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.475 -0.766 . . . . 10.0 109.867 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 -33.42 59.64 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.508 -0.745 . . . . 10.0 110.055 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -73.26 -45.06 58.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.403 -0.811 . . . . 10.0 110.432 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.15 119.43 39.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.387 -0.821 . . . . 10.0 110.384 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.8 100.94 6.54 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.698 -0.626 . . . . 10.0 109.891 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.09 177.51 7.7 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.73 1.384 . . . . 10.0 111.379 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.01 143.51 31.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.631 -0.668 . . . . 10.0 110.283 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 118.241 -0.885 . . . . 10.0 110.581 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.958 0.409 . . . . 10.0 110.404 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.73 -92.25 1.5 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.33 -1.508 . . . . 10.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.64 83.87 7.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.532 -0.981 . . . . 10.0 109.831 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.94 -160.72 0.74 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.354 -0.841 . . . . 10.0 110.029 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt 69.78 -63.78 0.37 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.81 -0.556 . . . . 10.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -42.98 86.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.189 -0.944 . . . . 10.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.09 -42.6 99.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.507 -0.746 . . . . 10.0 109.998 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mp -74.2 -33.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.511 -0.743 . . . . 10.0 110.043 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.401 ' HA ' HD11 ' A' ' 12' ' ' ILE . 10.7 t-105 -53.89 -52.41 60.59 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.409 -0.807 . . . . 10.0 110.233 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.53 -41.03 98.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.499 -0.751 . . . . 10.0 109.384 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.14 -40.55 85.87 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.684 -0.635 . . . . 10.0 109.842 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 9' ' ' TRP . 33.2 mt -61.17 -37.58 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.545 -0.722 . . . . 10.0 109.425 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.22 -39.07 86.22 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.629 -0.67 . . . . 10.0 109.975 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -39.12 87.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.528 -0.733 . . . . 10.0 110.234 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.08 -33.87 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.682 -0.636 . . . . 10.0 109.841 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.78 -42.85 81.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.438 -0.789 . . . . 10.0 110.227 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -75.02 -41.11 59.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.498 -0.751 . . . . 10.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.43 -24.55 62.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.395 -0.816 . . . . 10.0 110.542 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.09 44.61 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.226 -0.921 . . . . 10.0 110.178 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.33 -47.96 68.98 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.604 -0.685 . . . . 10.0 110.205 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 p -72.79 -36.39 67.6 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.32 -0.863 . . . . 10.0 110.409 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -55.72 -51.89 65.79 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.715 . . . . 10.0 109.613 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -40.31 90.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.814 -0.554 . . . . 10.0 110.454 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -69.37 -39.88 77.77 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.271 -0.893 . . . . 10.0 109.988 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.86 68.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.547 -0.721 . . . . 10.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -70.45 -35.44 73.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.447 -0.783 . . . . 10.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.27 -36.0 81.84 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.241 -0.912 . . . . 10.0 110.317 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.83 154.09 70.35 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.517 -0.739 . . . . 10.0 110.156 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -74.32 -172.74 1.24 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.863 1.454 . . . . 10.0 110.956 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 153.27 42.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.497 -0.752 . . . . 10.0 110.401 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.303 -0.855 . . . . 10.0 110.446 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 120.908 0.385 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.45 129.81 10.03 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -114.83 112.01 22.1 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.471 -1.017 . . . . 10.0 110.188 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -71.01 -31.27 67.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.439 -0.788 . . . . 10.0 110.372 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.17 -39.55 75.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.427 -0.796 . . . . 10.0 109.968 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.99 71.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.673 -0.642 . . . . 10.0 109.74 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.31 -38.09 36.1 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.778 -0.576 . . . . 10.0 109.785 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.27 -40.13 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.562 -0.712 . . . . 10.0 110.367 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.412 ' HA ' HD13 ' A' ' 12' ' ' ILE . 43.6 t-105 -61.2 -38.65 87.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 10.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.574 -0.704 . . . . 10.0 109.761 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.13 -39.67 90.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.534 -0.728 . . . . 10.0 109.81 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 9' ' ' TRP . 57.4 mt -59.32 -37.67 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.459 -0.776 . . . . 10.0 109.09 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.9 t -68.26 -35.51 78.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.623 -0.673 . . . . 10.0 109.428 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -49.39 77.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.667 -0.646 . . . . 10.0 109.842 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.63 -36.67 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.785 -0.572 . . . . 10.0 110.022 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.27 -41.52 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.494 -0.754 . . . . 10.0 109.917 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -40.58 98.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.453 -0.78 . . . . 10.0 109.786 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.48 -33.06 74.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 10.0 109.894 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -34.14 24.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.389 -0.819 . . . . 10.0 109.846 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.57 75.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.631 -0.668 . . . . 10.0 109.521 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -77.8 -33.09 52.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.479 -0.763 . . . . 10.0 110.176 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -57.37 -49.82 74.93 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.517 -0.74 . . . . 10.0 109.489 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -41.08 97.13 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.741 -0.599 . . . . 10.0 109.89 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -67.92 -34.72 77.16 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.567 -0.708 . . . . 10.0 109.922 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.64 68.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.599 -0.688 . . . . 10.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -40.62 95.94 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.374 -0.828 . . . . 10.0 110.198 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -165.97 1.32 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.471 -0.768 . . . . 10.0 109.884 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.94 98.56 0.04 OUTLIER Pre-proline 0 N--CA 1.503 2.175 0 O-C-N 121.65 -0.656 . . . . 10.0 110.764 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -74.59 -173.52 1.53 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.83 1.437 . . . . 10.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.05 141.72 58.65 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.511 -0.743 . . . . 10.0 110.627 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 118.308 -0.853 . . . . 10.0 110.525 -179.812 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.047 0.451 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.38 141.83 10.66 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.748 -1.341 . . . . 10.0 109.748 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -138.65 118.46 13.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.442 -1.034 . . . . 10.0 110.283 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -33.93 57.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.63 -0.669 . . . . 10.0 110.096 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mp -54.94 -31.64 60.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.574 -0.704 . . . . 10.0 110.837 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -40.2 65.1 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.391 -0.818 . . . . 10.0 110.326 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.77 -43.24 63.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.763 . . . . 10.0 109.802 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.56 -31.1 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.494 -0.754 . . . . 10.0 110.064 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -56.02 -40.1 72.93 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.413 -0.804 . . . . 10.0 110.16 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.56 -46.01 91.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.441 -0.787 . . . . 10.0 109.343 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -66.44 -38.7 87.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.605 -0.684 . . . . 10.0 109.71 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.13 -39.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.351 -0.843 . . . . 10.0 109.319 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -69.87 -35.11 74.42 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.634 -0.666 . . . . 10.0 109.442 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.25 -34.24 76.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.53 -0.731 . . . . 10.0 110.018 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.6 -28.71 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.685 -0.635 . . . . 10.0 109.945 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -44.22 95.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.803 . . . . 10.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 p -58.07 -40.72 81.73 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 109.927 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.13 -37.84 53.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.536 -0.728 . . . . 10.0 109.603 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -48.78 12.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.748 -0.595 . . . . 10.0 110.579 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -63.71 -43.56 96.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.551 -0.718 . . . . 10.0 110.412 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 m -70.87 -38.18 73.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.326 -0.859 . . . . 10.0 109.955 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -54.47 -48.24 72.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.62 -0.675 . . . . 10.0 109.861 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -43.86 90.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.781 -0.574 . . . . 10.0 110.421 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -40.05 84.69 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.492 -0.755 . . . . 10.0 110.239 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -26.82 67.33 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.537 -0.727 . . . . 10.0 110.552 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.324 -0.86 . . . . 10.0 110.703 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.59 125.34 22.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.676 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.64 74.52 6.48 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 10.0 110.073 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.78 -170.81 0.9 Allowed 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.799 1.421 . . . . 10.0 111.071 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.88 -33.71 68.59 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 10.0 110.481 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.297 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.087 0.47 . . . . 10.0 110.384 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.9 151.1 7.2 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.775 -1.33 . . . . 10.0 109.775 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -86.06 171.62 11.24 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.46 -1.023 . . . . 10.0 110.318 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.99 -59.1 1.94 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.4 -0.813 . . . . 10.0 110.26 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.22 -54.63 26.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.359 -0.838 . . . . 10.0 110.034 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -59.63 -35.4 74.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.675 -0.64 . . . . 10.0 110.128 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -43.46 98.77 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 8' ' ' ILE . 36.4 mt -67.72 -50.92 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.407 -0.808 . . . . 10.0 110.232 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -60.34 -46.99 87.97 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.439 -0.788 . . . . 10.0 110.458 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.58 -43.42 97.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.588 -0.695 . . . . 10.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.19 -39.0 91.28 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.315 -0.866 . . . . 10.0 110.185 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -60.1 -37.66 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.322 -0.861 . . . . 10.0 109.145 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.3 t -70.64 -34.16 71.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.622 -0.674 . . . . 10.0 109.873 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.62 -42.32 74.52 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -0.827 . . . . 10.0 110.035 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -62.64 -36.81 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.718 -0.614 . . . . 10.0 110.119 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.96 -48.08 72.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 10.0 110.306 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.65 83.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.31 -0.869 . . . . 10.0 110.083 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -35.52 78.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.558 -0.714 . . . . 10.0 110.141 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -48.61 41.21 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.533 -0.729 . . . . 10.0 110.381 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -63.53 -44.82 93.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 10.0 110.356 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 m -70.17 -37.78 75.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.407 -0.808 . . . . 10.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -54.91 -50.18 69.43 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.719 . . . . 10.0 109.607 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.86 -41.67 95.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.815 -0.553 . . . . 10.0 110.33 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -66.55 -45.24 80.06 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.39 -0.819 . . . . 10.0 110.345 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.72 73.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.402 -0.811 . . . . 10.0 110.545 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -44.28 90.57 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.395 -0.816 . . . . 10.0 110.558 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 pp -93.24 -24.88 18.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.443 -0.786 . . . . 10.0 110.506 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -138.2 79.53 31.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.313 -0.867 . . . . 10.0 109.966 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.91 179.3 4.94 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.755 1.397 . . . . 10.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -147.19 50.16 1.1 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.687 -0.633 . . . . 10.0 110.453 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 118.192 -0.909 . . . . 10.0 110.249 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.115 0.483 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.98 155.94 48.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.75 -1.34 . . . . 10.0 109.75 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -102.77 113.86 27.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.477 -1.013 . . . . 10.0 110.268 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.404 ' CE3' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -118.96 -61.89 1.59 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.424 -0.797 . . . . 10.0 110.128 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt -58.07 -40.35 80.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.447 -0.783 . . . . 10.0 110.241 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -38.44 75.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.483 -0.761 . . . . 10.0 109.698 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -58.89 -41.15 86.46 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.613 -0.679 . . . . 10.0 110.017 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD13 ' CE3' ' A' ' 4' ' ' TRP . 22.0 mt -70.64 -37.47 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.496 -0.752 . . . . 10.0 109.941 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.436 ' HA ' HD13 ' A' ' 12' ' ' ILE . 36.5 t-105 -54.98 -40.2 69.81 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.587 -0.695 . . . . 10.0 110.504 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.63 -45.47 93.92 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 10.0 109.845 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -65.84 -37.99 87.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.568 -0.708 . . . . 10.0 109.987 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 9' ' ' TRP . 46.5 mt -59.69 -36.97 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 10.0 109.379 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -73.11 -34.53 66.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.591 -0.693 . . . . 10.0 109.66 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -44.6 91.76 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.492 -0.755 . . . . 10.0 109.833 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.719 -0.613 . . . . 10.0 109.657 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 10.0 109.42 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -67.91 -38.15 82.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.597 -0.689 . . . . 10.0 109.145 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.05 -42.28 89.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 10.0 109.737 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.15 -47.66 23.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.779 -0.576 . . . . 10.0 110.137 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.27 -46.58 86.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.582 -0.699 . . . . 10.0 109.993 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.79 -35.49 77.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.534 -0.729 . . . . 10.0 110.146 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -56.7 -47.48 79.82 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.646 -0.659 . . . . 10.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.94 -44.21 96.7 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.912 -0.492 . . . . 10.0 110.015 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -66.54 -41.3 88.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.8 . . . . 10.0 109.999 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.35 -29.46 68.19 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.529 -0.732 . . . . 10.0 110.359 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.14 62.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.346 -0.846 . . . . 10.0 110.687 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tp -154.48 117.16 4.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.354 -0.841 . . . . 10.0 110.638 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.636 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -178.69 -57.36 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 121.834 -0.541 . . . . 10.0 110.504 179.542 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.636 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 46.5 Cg_endo -72.67 -175.34 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 O-C-N 123.382 1.201 . . . . 10.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -88.84 92.38 9.19 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.58 -0.7 . . . . 10.0 109.974 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 118.3 -0.857 . . . . 10.0 110.316 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 120.791 0.329 . . . . 10.0 110.576 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.11 -122.32 0.72 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.884 -1.286 . . . . 10.0 109.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -60.35 -34.99 74.64 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.62 -0.93 . . . . 10.0 110.778 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -56.33 -47.07 79.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.549 -0.719 . . . . 10.0 110.147 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.09 -33.61 33.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.577 -0.702 . . . . 10.0 110.371 179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.25 80.75 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.267 -0.896 . . . . 10.0 110.407 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -68.74 -36.21 78.09 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.383 -0.823 . . . . 10.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 110.74 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -53.52 39.0 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.318 -0.864 . . . . 10.0 110.194 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.03 -40.32 88.95 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.506 -0.746 . . . . 10.0 109.718 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -66.28 -38.94 88.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.425 -0.797 . . . . 10.0 109.756 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mt -60.69 -38.43 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.486 -0.759 . . . . 10.0 109.129 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.06 -36.27 77.48 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.526 -0.734 . . . . 10.0 109.612 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.9 -44.39 89.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 10.0 109.9 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 94.5 t -62.36 -36.24 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.756 -0.59 . . . . 10.0 109.872 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.12 -33.84 75.22 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.449 -0.782 . . . . 10.0 110.411 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.2 -36.39 13.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.37 -0.831 . . . . 10.0 110.094 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.17 -31.78 70.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.27 -0.894 . . . . 10.0 110.502 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -49.72 -44.58 48.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.447 -0.783 . . . . 10.0 109.98 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -61.98 -44.84 95.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.922 -0.486 . . . . 10.0 110.052 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -71.34 -40.2 70.85 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.436 -0.79 . . . . 10.0 109.994 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -56.33 -46.99 79.66 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.512 -0.743 . . . . 10.0 109.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -40.03 87.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.738 -0.601 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -70.87 -44.25 66.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.901 . . . . 10.0 110.172 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.5 94.87 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.596 -0.69 . . . . 10.0 110.284 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -62.7 -37.01 84.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.381 -0.825 . . . . 10.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tt -75.28 -32.22 60.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.502 -0.748 . . . . 10.0 110.46 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.9 mtm -85.7 117.09 68.09 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.463 -0.773 . . . . 10.0 110.562 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.79 -177.02 3.3 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 O-C-N 123.793 1.417 . . . . 10.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 50.82 47.38 24.69 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.819 -0.55 . . . . 10.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.5 2.037 0 CA-C-O 118.712 -0.661 . . . . 10.0 110.39 -179.98 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.894 0.378 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.5 76.59 1.34 Allowed Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.591 -1.404 . . . . 10.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -110.22 51.88 0.75 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.407 -1.055 . . . . 10.0 110.202 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -110.82 38.11 2.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.361 -0.837 . . . . 10.0 110.509 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.07 -45.99 2.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.256 -0.903 . . . . 10.0 110.43 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -38.84 85.78 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.488 -0.757 . . . . 10.0 110.527 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.36 -29.29 67.98 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.435 -0.791 . . . . 10.0 110.741 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.9 mt -77.76 -42.7 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.234 -0.916 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.47 ' HA ' HD13 ' A' ' 12' ' ' ILE . 68.3 t-105 -55.9 -54.21 47.43 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.443 -0.786 . . . . 10.0 110.747 -179.611 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.54 -39.61 84.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.462 -0.774 . . . . 10.0 110.158 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -60.51 -42.51 96.56 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.424 -0.797 . . . . 10.0 109.917 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 9' ' ' TRP . 46.0 mt -58.72 -37.56 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.514 -0.741 . . . . 10.0 109.375 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.3 t -69.7 -39.33 76.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 10.0 109.876 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -40.38 92.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.533 -0.73 . . . . 10.0 110.166 179.517 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.59 -37.15 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.714 -0.616 . . . . 10.0 109.709 179.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.19 98.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.461 -0.775 . . . . 10.0 109.655 179.265 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -76.05 -39.95 54.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.452 -0.78 . . . . 10.0 109.649 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.96 -29.98 69.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.604 -0.685 . . . . 10.0 110.535 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -39.83 32.14 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.34 -0.85 . . . . 10.0 110.196 179.497 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -45.91 77.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.595 -0.69 . . . . 10.0 110.455 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 p -75.69 -42.52 50.81 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 10.0 110.258 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -54.5 -54.11 45.42 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.699 -0.625 . . . . 10.0 109.9 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.06 -31.4 71.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.752 -0.593 . . . . 10.0 110.512 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.621 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -69.51 -33.7 73.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.158 -0.964 . . . . 10.0 109.955 179.324 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.86 -46.16 46.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.734 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.22 65.14 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.419 -0.8 . . . . 10.0 110.376 179.808 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.99 61.08 0.6 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.378 -0.826 . . . . 10.0 109.635 179.381 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.98 118.36 34.62 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.724 . . . . 10.0 110.142 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -74.27 -178.53 4.0 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.901 1.474 . . . . 10.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.9 39.22 4.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.655 -0.653 . . . . 10.0 110.168 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.1 mt . . . . . 0 N--CA 1.501 2.078 0 CA-C-O 117.817 -1.087 . . . . 10.0 110.505 -179.914 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 121.057 0.456 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.66 24.17 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.1 86.41 7.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.347 -1.09 . . . . 10.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.58 -41.99 5.11 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.436 -0.79 . . . . 10.0 110.667 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.17 -44.72 88.12 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.487 -0.758 . . . . 10.0 110.746 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -32.12 70.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.298 -0.876 . . . . 10.0 110.001 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.46 -37.76 63.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.592 -0.692 . . . . 10.0 109.828 179.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.5 mt -77.88 -30.31 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.393 -0.817 . . . . 10.0 110.519 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -53.15 -48.02 68.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.397 -0.814 . . . . 10.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.8 -41.86 87.75 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.456 -0.778 . . . . 10.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -66.94 -38.46 86.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.471 -0.768 . . . . 10.0 109.702 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mt -59.18 -36.3 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.39 -0.819 . . . . 10.0 109.395 179.066 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -71.87 -37.71 70.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.619 -0.675 . . . . 10.0 109.998 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.69 91.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.804 . . . . 10.0 109.871 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -33.27 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 10.0 109.89 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -37.84 74.42 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.59 -0.694 . . . . 10.0 110.097 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -61.18 -45.97 92.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.598 -0.689 . . . . 10.0 109.492 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -43.02 74.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.649 -0.657 . . . . 10.0 109.258 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -40.42 60.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.816 -0.552 . . . . 10.0 109.966 179.422 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -57.72 -43.47 85.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.647 -0.658 . . . . 10.0 109.812 179.183 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 -37.94 34.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 179.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -56.34 -50.4 71.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.43 -34.46 78.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.831 -0.543 . . . . 10.0 110.409 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -34.26 77.38 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.288 -0.883 . . . . 10.0 110.116 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.81 -33.6 68.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.391 -0.818 . . . . 10.0 110.017 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -82.03 -50.23 9.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 10.0 110.49 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -96.33 136.67 36.49 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.523 -0.736 . . . . 10.0 110.246 -179.728 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.598 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.5 ttm -167.88 -58.08 0.01 OUTLIER Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.625 -0.672 . . . . 10.0 111.157 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 44.5 Cg_endo -70.4 -167.71 0.26 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.145 1.076 . . . . 10.0 111.354 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.06 151.9 46.34 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.295 -0.878 . . . . 10.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 HD21 HD12 ' A' ' 27' ' ' LEU . 3.7 mp . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.257 -0.878 . . . . 10.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 120.922 0.391 . . . . 10.0 110.286 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 3' ' ' SER . . . -150.1 -123.67 1.2 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.601 -1.4 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' HB3' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER 64.76 158.94 0.1 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.923 -0.751 . . . . 10.0 111.076 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.403 ' CZ3' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -104.39 -39.77 6.33 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.354 -0.841 . . . . 10.0 110.609 -179.742 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.09 -36.3 74.88 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.436 -0.79 . . . . 10.0 110.384 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -57.03 -42.4 80.35 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.455 -0.778 . . . . 10.0 110.136 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.99 -37.56 88.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.505 -0.747 . . . . 10.0 110.148 179.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.403 HD13 ' CZ3' ' A' ' 4' ' ' TRP . 24.5 mm -74.7 -28.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.382 -0.824 . . . . 10.0 110.212 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.1 t-105 -54.62 -50.42 68.13 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.482 -0.761 . . . . 10.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.29 -40.98 98.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.402 -0.811 . . . . 10.0 109.601 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -60.28 -40.13 89.34 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.624 -0.673 . . . . 10.0 109.591 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mt -62.98 -37.54 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.503 -0.748 . . . . 10.0 109.285 178.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.24 -39.76 94.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.512 -0.742 . . . . 10.0 109.687 179.186 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -41.26 94.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.541 -0.724 . . . . 10.0 109.698 179.2 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.54 -35.51 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.76 -0.588 . . . . 10.0 109.551 179.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.83 -40.41 88.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 10.0 109.842 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -43.13 98.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.52 -0.737 . . . . 10.0 109.41 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.27 -37.64 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.64 -0.663 . . . . 10.0 109.461 178.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -41.81 35.55 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.669 -0.644 . . . . 10.0 110.271 179.603 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -42.92 98.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.187 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.67 -44.81 16.63 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.436 -0.79 . . . . 10.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -46.43 67.74 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.562 -0.711 . . . . 10.0 110.085 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 -43.61 98.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.725 -0.61 . . . . 10.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -70.1 -34.96 73.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -0.841 . . . . 10.0 109.817 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.97 -16.54 61.79 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.768 -0.582 . . . . 10.0 110.889 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -27.89 9.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.24 -0.913 . . . . 10.0 110.485 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.52 -39.59 22.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.32 -0.863 . . . . 10.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.427 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 2.9 mtp -58.3 -53.39 66.55 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.332 -0.855 . . . . 10.0 111.142 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 28' ' ' MET . 47.6 Cg_endo -75.13 -167.76 0.45 Allowed 'Trans proline' 0 N--CA 1.488 1.164 0 O-C-N 123.416 1.219 . . . . 10.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -124.45 163.39 21.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.54 -0.725 . . . . 10.0 110.177 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.339 179.993 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.007 0.432 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.06 147.66 18.53 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.04 90.97 7.09 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.518 -0.989 . . . . 10.0 110.09 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -83.04 -40.95 19.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.42 -0.8 . . . . 10.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.31 -39.27 72.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.574 -0.704 . . . . 10.0 110.12 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -33.47 74.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.559 -0.713 . . . . 10.0 110.151 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.47 -38.14 89.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 10.0 110.165 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -85.09 -45.54 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.268 -0.895 . . . . 10.0 109.995 179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -57.81 -41.54 82.39 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.596 -0.69 . . . . 10.0 110.68 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.88 -43.07 90.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.461 -0.774 . . . . 10.0 109.983 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.406 ' CE2' HG21 ' A' ' 15' ' ' VAL . 81.2 t90 -66.95 -39.99 87.41 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.551 -0.718 . . . . 10.0 109.932 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.96 -37.6 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 10.0 109.4 179.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 t -67.25 -42.18 84.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.592 -0.692 . . . . 10.0 109.911 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -44.84 86.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.404 -0.81 . . . . 10.0 109.171 179.065 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG21 ' CE2' ' A' ' 11' ' ' TRP . 74.8 t -64.1 -33.13 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 178.234 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -38.17 79.24 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.731 -0.606 . . . . 10.0 109.516 178.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -46.93 85.28 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.45 -41.77 84.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.609 -0.682 . . . . 10.0 109.412 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -42.01 64.6 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.681 -0.637 . . . . 10.0 109.997 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -59.3 -38.1 79.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.649 -0.657 . . . . 10.0 110.371 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -87.39 -39.57 15.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.323 -0.861 . . . . 10.0 110.088 179.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -57.75 -46.02 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.541 -0.724 . . . . 10.0 109.974 179.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.94 -41.11 95.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.705 -0.622 . . . . 10.0 110.233 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.4 -32.12 66.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.332 -0.855 . . . . 10.0 110.052 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.18 75.32 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.43 -0.794 . . . . 10.0 110.188 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -76.0 -34.5 59.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.383 -0.823 . . . . 10.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -86.51 -51.21 6.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.404 -0.81 . . . . 10.0 110.245 -179.718 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 37.2 mtt 50.06 61.47 13.56 Favored Pre-proline 0 N--CA 1.501 2.107 0 O-C-N 121.722 -0.611 . . . . 10.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 27' ' ' LEU . 45.7 Cg_endo -74.33 178.69 6.68 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 O-C-N 123.675 1.355 . . . . 10.0 111.188 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.56 -27.35 55.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.635 -0.666 . . . . 10.0 110.415 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.186 -0.911 . . . . 10.0 110.207 179.865 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 120.839 0.352 . . . . 10.0 110.471 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.03 -80.02 0.05 OUTLIER Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.028 -1.229 . . . . 10.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 t -100.35 170.39 8.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.434 -1.039 . . . . 10.0 110.66 -179.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -6.37 49.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.663 -0.648 . . . . 10.0 111.108 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mt -107.71 -26.75 10.68 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.142 -0.973 . . . . 10.0 110.383 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -77.03 -39.92 48.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.881 . . . . 10.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.34 -31.97 73.38 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.338 -0.851 . . . . 10.0 110.033 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -74.33 -32.75 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.331 -0.856 . . . . 10.0 109.656 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' HA ' HD11 ' A' ' 12' ' ' ILE . 25.8 t-105 -53.59 -52.08 60.96 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.429 -0.794 . . . . 10.0 110.229 179.719 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.64 -40.73 95.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.518 -0.739 . . . . 10.0 109.816 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -60.21 -38.65 83.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.692 179.064 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 9' ' ' TRP . 31.3 mt -62.12 -36.7 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -62.51 -38.91 91.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.573 -0.705 . . . . 10.0 109.169 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.11 -44.78 62.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.613 -0.679 . . . . 10.0 109.434 178.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.5 t -64.78 -26.48 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.972 -0.455 . . . . 10.0 110.153 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.52 -43.95 76.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.293 -0.879 . . . . 10.0 109.765 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 t -64.32 -39.58 94.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.387 -0.821 . . . . 10.0 109.245 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.81 -36.95 76.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.61 -0.681 . . . . 10.0 109.976 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -41.46 41.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 10.0 110.128 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -59.63 -42.47 92.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.659 -0.651 . . . . 10.0 109.526 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -78.18 -40.55 37.35 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 10.0 109.495 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -54.32 -48.49 71.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.771 -0.581 . . . . 10.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.43 98.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.663 -0.648 . . . . 10.0 109.863 179.378 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -35.54 80.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -0.798 . . . . 10.0 110.056 179.218 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.06 66.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 10.0 110.445 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -98.36 -21.77 16.44 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.331 -0.856 . . . . 10.0 110.272 179.326 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -47.25 77.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 10.0 110.56 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.666 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 mtm -97.47 -66.1 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 10.0 110.262 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 48.1 Cg_endo -85.3 -164.0 0.22 Allowed 'Trans proline' 0 N--CA 1.483 0.886 0 O-C-N 123.106 1.056 . . . . 10.0 110.507 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -99.3 -39.09 8.59 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.331 -0.856 . . . . 10.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.146 -0.93 . . . . 10.0 110.173 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 120.8 0.333 . . . . 10.0 110.577 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.28 -144.82 6.21 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.755 -1.338 . . . . 10.0 109.755 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -80.51 154.32 27.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.366 -1.079 . . . . 10.0 110.377 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -22.88 15.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.366 -0.834 . . . . 10.0 110.696 -179.833 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -58.48 -39.47 80.08 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.345 -0.847 . . . . 10.0 109.909 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -39.81 91.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.573 -0.704 . . . . 10.0 109.706 179.256 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.18 -41.39 99.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.632 -0.668 . . . . 10.0 109.854 179.251 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 5' ' ' LEU . 16.3 mt -66.19 -33.26 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.501 -0.749 . . . . 10.0 109.95 179.355 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 24.9 t-105 -57.25 -40.77 78.31 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.396 -0.815 . . . . 10.0 110.24 179.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.14 -42.66 98.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.553 -0.717 . . . . 10.0 109.628 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -67.64 -37.78 82.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.669 -0.644 . . . . 10.0 109.868 179.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.1 mt -60.82 -35.29 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.416 -0.803 . . . . 10.0 109.61 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.1 t -73.55 -32.13 64.01 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.523 -0.736 . . . . 10.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.05 72.56 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 10.0 109.934 179.366 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.8 -16.9 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.616 -0.678 . . . . 10.0 110.664 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.44 -46.32 37.51 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.362 -0.837 . . . . 10.0 110.468 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.6 p -73.14 -40.43 64.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.301 -0.874 . . . . 10.0 109.721 178.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.53 -34.45 72.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.746 -0.596 . . . . 10.0 110.399 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -38.9 56.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.454 -0.778 . . . . 10.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -60.17 -42.73 95.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.439 -0.788 . . . . 10.0 110.224 179.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.76 18.63 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -0.772 . . . . 10.0 110.379 179.729 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -49.89 75.59 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 10.0 109.886 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.22 -34.31 77.37 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.672 -0.643 . . . . 10.0 109.955 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -39.38 94.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.359 -0.838 . . . . 10.0 109.718 179.19 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 -22.74 58.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.544 -0.722 . . . . 10.0 110.57 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -14.01 60.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.283 -0.886 . . . . 10.0 111.212 179.901 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.72 -36.61 62.44 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.148 -0.97 . . . . 10.0 110.459 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.4 ttt -112.33 89.69 12.84 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.525 -0.735 . . . . 10.0 109.882 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -73.09 -178.46 3.58 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.833 1.438 . . . . 10.0 111.295 -179.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -144.13 -52.26 0.32 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.581 -0.699 . . . . 10.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.909 -1.043 . . . . 10.0 110.263 179.958 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.864 0.364 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.68 -91.34 2.17 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -81.25 67.1 7.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.521 -0.988 . . . . 10.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.48 40.14 3.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.496 -0.752 . . . . 10.0 110.013 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -40.54 23.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.449 -0.782 . . . . 10.0 110.18 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -38.01 84.65 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.625 -0.672 . . . . 10.0 110.476 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -4.58 45.59 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.457 -0.777 . . . . 10.0 110.943 179.584 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -101.47 -33.19 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.121 -0.987 . . . . 10.0 109.216 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.537 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -56.19 -45.61 79.74 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.443 -0.785 . . . . 10.0 110.562 179.911 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.32 -34.95 74.53 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.276 -0.89 . . . . 10.0 109.224 178.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -74.07 -36.98 64.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.593 -0.692 . . . . 10.0 109.372 178.691 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 mm -56.92 -40.29 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 10.0 108.936 178.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.0 t -63.77 -39.33 94.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.738 -0.601 . . . . 10.0 109.413 178.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -43.91 84.46 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.663 -0.648 . . . . 10.0 109.797 178.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -36.0 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.615 -0.678 . . . . 10.0 109.733 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.7 -40.08 71.91 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.621 -0.674 . . . . 10.0 110.194 179.643 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -61.79 -43.58 98.56 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.468 -0.77 . . . . 10.0 109.556 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -72.02 -34.92 69.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.457 -0.777 . . . . 10.0 109.392 178.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -39.97 63.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 10.0 109.581 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -47.84 83.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.29 -38.18 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.589 -0.694 . . . . 10.0 109.765 179.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -54.75 -49.26 71.26 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.701 -0.624 . . . . 10.0 109.562 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.07 -34.2 77.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.846 -0.534 . . . . 10.0 110.07 179.323 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.46 -39.43 87.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.464 -0.772 . . . . 10.0 109.897 179.233 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.31 -28.1 59.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 10.0 110.074 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.95 -21.38 66.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.468 -0.77 . . . . 10.0 110.866 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.06 -167.98 0.69 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.177 -0.952 . . . . 10.0 110.128 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 11.1 tpt 70.51 137.37 0.05 OUTLIER Pre-proline 0 N--CA 1.506 2.36 0 O-C-N 121.762 -0.586 . . . . 10.0 110.621 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -72.7 -177.73 3.01 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 O-C-N 123.708 1.373 . . . . 10.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 57.09 5.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.777 -0.577 . . . . 10.0 110.477 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.371 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.886 0.374 . . . . 10.0 110.414 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 3' ' ' SER . . . -124.77 -146.82 6.95 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.641 -1.383 . . . . 10.0 109.641 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 2' ' ' GLY . 12.9 t 57.71 97.04 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.933 -0.745 . . . . 10.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -32.37 65.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.45 -0.781 . . . . 10.0 110.54 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mt -56.67 -43.44 80.41 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.487 -0.758 . . . . 10.0 109.929 179.34 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -65.55 -38.37 89.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.499 -0.751 . . . . 10.0 109.675 179.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.12 -34.49 73.59 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.681 -0.637 . . . . 10.0 110.173 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.3 mt -80.31 -38.67 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.387 -0.821 . . . . 10.0 110.316 179.707 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.425 ' HA ' HD13 ' A' ' 12' ' ' ILE . 24.2 t-105 -55.24 -48.53 73.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.415 -0.803 . . . . 10.0 110.695 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.53 -41.43 97.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.354 -0.841 . . . . 10.0 109.574 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -61.32 -40.37 93.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.697 -0.627 . . . . 10.0 109.782 179.17 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 9' ' ' TRP . 45.8 mt -63.0 -36.42 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.478 -0.764 . . . . 10.0 109.434 179.137 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -70.24 -39.47 75.04 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.491 -0.756 . . . . 10.0 110.119 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -40.56 96.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.377 -0.827 . . . . 10.0 110.059 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.86 -39.68 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.728 -0.607 . . . . 10.0 109.469 179.263 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.75 -43.81 97.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -62.15 -40.81 97.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.575 -0.703 . . . . 10.0 109.609 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.586 -0.696 . . . . 10.0 109.617 179.204 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -40.39 74.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.695 -0.628 . . . . 10.0 109.578 179.01 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -63.26 -42.1 99.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.766 -0.584 . . . . 10.0 109.551 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -70.68 -36.1 73.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.741 . . . . 10.0 109.649 179.195 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.491 ' CZ3' ' HD2' ' A' ' 26' ' ' LYS . 2.1 t90 -54.84 -49.2 71.66 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.803 -0.56 . . . . 10.0 109.802 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -71.88 -37.06 70.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.772 -0.58 . . . . 10.0 110.063 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -39.78 94.92 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.305 -0.872 . . . . 10.0 109.676 179.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.576 -0.703 . . . . 10.0 110.061 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' HD2' ' CZ3' ' A' ' 22' ' ' TRP . 8.8 mtpt -62.53 -33.09 74.22 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.326 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.69 -35.85 73.27 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.49 -0.756 . . . . 10.0 110.445 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.1 ttm -69.07 124.31 90.1 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.477 -0.765 . . . . 10.0 110.032 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.58 -178.5 3.76 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 O-C-N 123.833 1.438 . . . . 10.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.18 158.52 24.12 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -0.764 . . . . 10.0 110.47 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 118.179 -0.915 . . . . 10.0 110.135 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.08 0.467 . . . . 10.0 110.224 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.22 -81.78 0.14 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -92.99 51.93 1.75 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.419 -1.048 . . . . 10.0 110.3 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -15.88 59.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.371 -0.831 . . . . 10.0 110.899 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.85 -33.48 70.49 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.296 -0.878 . . . . 10.0 110.169 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -34.16 41.78 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.27 -0.894 . . . . 10.0 109.4 178.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.87 -34.23 75.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.728 -0.607 . . . . 10.0 110.376 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 tp -62.93 -25.0 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.301 -0.875 . . . . 10.0 110.768 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.473 ' HA ' HD12 ' A' ' 12' ' ' ILE . 17.3 t-105 -57.41 -42.47 82.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.25 -46.61 86.07 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.455 -0.778 . . . . 10.0 109.314 179.213 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -59.77 -39.78 86.01 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.605 -0.684 . . . . 10.0 109.589 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 9' ' ' TRP . 27.5 mt -59.65 -37.13 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.824 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.79 -38.01 79.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.567 -0.708 . . . . 10.0 109.523 178.584 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -42.99 99.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.745 . . . . 10.0 109.551 179.066 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.98 -30.94 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.742 -0.598 . . . . 10.0 109.678 178.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.37 -36.0 79.01 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.592 -0.693 . . . . 10.0 109.761 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -70.68 -44.04 67.85 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.428 -0.795 . . . . 10.0 109.149 178.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.06 -27.08 68.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.577 -0.702 . . . . 10.0 109.842 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -35.18 63.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.37 -0.831 . . . . 10.0 109.61 178.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -59.0 -49.27 78.54 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 10.0 109.154 178.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -39.75 75.84 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.431 -0.793 . . . . 10.0 109.089 178.401 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -56.73 -51.83 67.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 10.0 109.62 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -34.81 74.58 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.786 -0.571 . . . . 10.0 110.039 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -36.36 80.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.435 -0.79 . . . . 10.0 109.847 179.23 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.73 -28.85 33.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.544 -0.723 . . . . 10.0 109.762 178.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.44 -17.38 62.63 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.541 -0.724 . . . . 10.0 110.571 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -54.51 -28.93 48.6 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.468 -0.77 . . . . 10.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -62.08 166.9 5.65 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.472 -0.767 . . . . 10.0 110.325 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.4 -89.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.717 1.378 . . . . 10.0 110.952 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.98 178.08 8.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.19 -0.944 . . . . 10.0 110.69 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 117.843 -1.075 . . . . 10.0 110.15 179.727 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 121.125 0.488 . . . . 10.0 110.282 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.48 98.65 0.14 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.671 -1.372 . . . . 10.0 109.671 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p 37.03 45.0 0.42 Allowed 'General case' 0 N--CA 1.506 2.374 0 O-C-N 122.211 -0.582 . . . . 10.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -72.9 0.7 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 10.0 109.478 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.28 -3.59 59.04 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 10.0 110.389 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -18.93 18.5 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.275 -0.891 . . . . 10.0 110.581 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.56 -50.46 4.07 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.328 -0.858 . . . . 10.0 110.366 -179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 96.8 mt -56.57 -37.18 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.681 -0.637 . . . . 10.0 110.863 -179.418 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -53.17 -46.5 68.94 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.401 -0.812 . . . . 10.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.26 -43.42 96.18 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.503 -0.748 . . . . 10.0 109.774 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -65.79 -38.49 89.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.695 -0.628 . . . . 10.0 109.799 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.22 -39.97 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.419 -0.801 . . . . 10.0 109.404 179.06 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.52 -36.06 81.77 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 10.0 109.468 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.78 -34.73 77.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.49 -0.756 . . . . 10.0 109.772 178.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -88.7 -25.97 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.721 -0.612 . . . . 10.0 110.17 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.89 -46.1 71.29 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.386 -0.821 . . . . 10.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -60.77 -43.36 98.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 10.0 109.876 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.12 -33.65 65.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.521 -0.737 . . . . 10.0 109.979 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -45.25 61.96 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.605 -0.684 . . . . 10.0 110.172 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -44.18 94.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.606 -0.684 . . . . 10.0 109.98 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -68.8 -38.49 79.99 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.524 -0.735 . . . . 10.0 109.906 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.693 . . . . 10.0 109.666 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.75 -37.08 70.58 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.832 -0.543 . . . . 10.0 110.57 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -70.44 -34.95 73.05 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 10.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.4 -10.19 54.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.97 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.72 -52.29 3.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 10.0 110.798 -179.69 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.21 -47.82 1.87 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.263 -0.898 . . . . 10.0 110.859 -179.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp 57.36 62.79 5.38 Favored Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.638 -0.664 . . . . 10.0 110.335 -179.6 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.02 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 123.763 1.402 . . . . 10.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 151.33 15.88 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.516 -0.74 . . . . 10.0 110.499 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 118.65 -0.69 . . . . 10.0 110.619 -179.806 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.994 0.426 . . . . 10.0 110.298 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.68 -161.7 48.31 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.837 -1.305 . . . . 10.0 109.837 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -157.66 60.51 0.48 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.467 -1.02 . . . . 10.0 110.195 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -118.38 -178.24 3.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.33 -0.856 . . . . 10.0 110.226 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.95 -67.65 0.16 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.835 -0.541 . . . . 10.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.69 90.2 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.231 -0.918 . . . . 10.0 109.947 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.32 -39.37 89.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.645 -0.66 . . . . 10.0 109.826 179.146 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.4 mm -60.16 -43.03 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.479 -0.763 . . . . 10.0 109.558 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -68.29 -34.58 76.42 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.475 -0.765 . . . . 10.0 109.682 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.69 -43.4 85.08 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.583 -0.698 . . . . 10.0 109.245 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -69.74 -40.76 75.98 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.513 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.431 HD13 HG21 ' A' ' 12' ' ' ILE . 46.1 mt -59.26 -38.41 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.692 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.0 t -64.47 -37.34 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.722 -0.611 . . . . 10.0 109.504 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.66 -48.05 82.4 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.613 0.72 . . . . 10.0 109.352 178.798 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 t -73.29 -31.37 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.909 -0.494 . . . . 10.0 109.914 179.102 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -58.52 -45.2 89.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.509 -0.745 . . . . 10.0 110.667 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -61.67 -40.85 96.41 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.391 -0.818 . . . . 10.0 109.95 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.27 -40.02 71.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.449 -0.782 . . . . 10.0 109.4 178.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -37.53 71.01 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 10.0 109.486 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -57.8 -45.55 85.91 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.772 -0.58 . . . . 10.0 109.549 178.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -70.44 -34.8 72.88 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.474 -0.766 . . . . 10.0 109.772 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -55.26 -49.51 71.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.595 -0.69 . . . . 10.0 109.506 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.84 -36.13 79.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 109.999 179.244 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -44.23 92.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.438 -0.788 . . . . 10.0 109.882 179.37 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.5 78.46 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.688 -0.632 . . . . 10.0 110.212 179.41 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -68.46 -30.99 69.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.504 -0.747 . . . . 10.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tt -73.91 -59.25 2.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.449 -0.782 . . . . 10.0 109.785 179.643 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 ttt 66.67 137.99 0.05 OUTLIER Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 122.028 -0.42 . . . . 10.0 111.266 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -73.29 -171.33 0.79 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 O-C-N 123.641 1.337 . . . . 10.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -116.0 -176.76 3.01 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.407 -0.808 . . . . 10.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.873 -1.06 . . . . 10.0 110.296 179.944 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 121.096 0.474 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.93 133.12 12.53 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.71 -1.356 . . . . 10.0 109.71 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 p -103.49 99.9 9.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.51 -0.994 . . . . 10.0 110.441 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.65 14.71 30.57 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.357 -0.839 . . . . 10.0 110.713 179.883 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.85 -52.06 48.06 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.167 -0.958 . . . . 10.0 109.523 179.367 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HG2' ' HB2' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -62.0 -36.38 81.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 10.0 109.182 178.652 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.07 -29.43 65.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.617 -0.677 . . . . 10.0 110.489 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.0 mt -102.11 -51.68 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.281 -0.887 . . . . 10.0 110.389 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -62.13 -52.55 63.39 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.498 -0.751 . . . . 10.0 110.88 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.511 ' HB2' ' HG2' ' A' ' 6' ' ' ARG . 3.7 t70 -60.24 -37.57 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.38 -0.825 . . . . 10.0 110.099 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -64.11 -44.77 91.25 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.491 -0.756 . . . . 10.0 110.157 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.48 -35.06 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.333 -0.855 . . . . 10.0 109.212 179.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -68.36 -39.24 81.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 10.0 110.037 179.075 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -43.07 62.91 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 10.0 109.943 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.67 -48.33 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.72 -0.612 . . . . 10.0 109.687 179.3 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -45.37 92.9 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.558 -0.714 . . . . 10.0 110.26 179.695 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -62.29 -41.04 98.16 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.356 -0.84 . . . . 10.0 109.6 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.57 -42.55 78.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.615 -0.678 . . . . 10.0 109.695 179.04 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.82 -44.62 49.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.709 -0.619 . . . . 10.0 110.42 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -37.4 87.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.711 -0.618 . . . . 10.0 110.549 179.732 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 m -82.88 -33.78 26.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -56.64 -49.51 74.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.595 -0.691 . . . . 10.0 109.603 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -35.53 80.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.806 -0.559 . . . . 10.0 110.179 179.443 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.13 -32.39 63.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.387 -0.821 . . . . 10.0 110.7 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.8 -34.5 19.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.358 -0.839 . . . . 10.0 111.008 -179.558 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -86.92 -49.94 7.03 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.236 -0.915 . . . . 10.0 110.964 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -39.35 8.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.29 -0.881 . . . . 10.0 110.671 -179.609 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttt 57.18 66.05 3.3 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.743 -0.598 . . . . 10.0 110.591 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' ' HB2' ' A' ' 30' ' ' GLN . 49.7 Cg_endo -78.25 -161.93 0.16 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.798 1.42 . . . . 10.0 110.796 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 5.4 mm-40 64.49 109.57 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.308 0.575 . . . . 10.0 111.027 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.102 0 CA-C-O 118.225 -0.893 . . . . 10.0 111.046 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.19 0.519 . . . . 10.0 110.115 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.14 46.06 1.08 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.749 -1.34 . . . . 10.0 109.749 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p 46.01 -149.12 0.1 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.878 -0.778 . . . . 10.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.23 -5.77 58.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.238 -0.914 . . . . 10.0 110.638 179.587 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.2 mp -60.2 -35.79 76.2 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.201 -0.937 . . . . 10.0 109.9 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -31.84 70.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.296 -0.878 . . . . 10.0 109.245 178.588 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.6 -36.73 25.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.731 -0.606 . . . . 10.0 110.845 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.6 tp -66.33 -28.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.323 -0.86 . . . . 10.0 110.936 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.466 ' HA ' ' HE3' ' A' ' 9' ' ' TRP . 2.3 t-105 -64.54 -53.87 41.09 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.216 -0.928 . . . . 10.0 109.716 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.99 -38.98 93.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.725 . . . . 10.0 109.745 178.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -65.23 -42.95 92.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.504 -0.747 . . . . 10.0 110.155 179.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.66 -37.8 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.366 -0.834 . . . . 10.0 109.28 179.112 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -65.93 -34.6 78.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.522 -0.736 . . . . 10.0 109.656 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -45.14 62.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.551 -0.718 . . . . 10.0 109.973 179.301 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.08 -30.28 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.761 -0.587 . . . . 10.0 110.508 179.821 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.9 -45.67 78.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.46 -0.775 . . . . 10.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.5 -0.75 . . . . 10.0 109.778 179.512 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.14 -44.35 80.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.485 -0.759 . . . . 10.0 109.517 179.063 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.16 -41.98 28.36 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.697 -0.627 . . . . 10.0 110.328 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.26 -42.57 98.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.588 -0.695 . . . . 10.0 110.542 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -84.57 -40.16 17.89 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 10.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -56.43 -44.2 80.16 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.577 -0.702 . . . . 10.0 110.141 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.82 -37.62 84.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.812 -0.555 . . . . 10.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -77.94 -35.84 49.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.194 -0.941 . . . . 10.0 110.245 179.648 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.5 61.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -64.1 -40.95 97.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.236 -0.915 . . . . 10.0 110.624 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 123.32 30.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.392 -0.817 . . . . 10.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.508 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -161.02 -63.19 0.02 OUTLIER Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.384 -0.822 . . . . 10.0 110.836 -179.878 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 28' ' ' MET . 40.6 Cg_endo -69.7 -78.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 O-C-N 123.485 1.255 . . . . 10.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 57.54 -165.88 0.15 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.565 -0.709 . . . . 10.0 110.7 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.228 -0.892 . . . . 10.0 110.269 -179.888 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.753 0.311 . . . . 10.0 110.495 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.8 -179.39 23.61 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.994 -1.242 . . . . 10.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -102.4 101.94 12.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.28 -1.129 . . . . 10.0 110.187 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.504 -0.748 . . . . 10.0 110.679 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.61 -41.28 90.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.323 -0.861 . . . . 10.0 109.664 179.273 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.48 -36.87 79.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.628 -0.67 . . . . 10.0 109.641 179.04 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.11 -37.52 77.38 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.671 -0.643 . . . . 10.0 110.353 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt -87.62 -43.63 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.376 -0.828 . . . . 10.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -59.87 -39.4 85.13 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.523 -0.736 . . . . 10.0 110.553 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.55 -47.18 86.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.453 -0.779 . . . . 10.0 110.045 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -62.64 -41.72 99.19 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.502 -0.749 . . . . 10.0 110.027 179.526 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.65 -36.25 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.379 -0.826 . . . . 10.0 109.614 179.329 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 t -71.62 -39.14 70.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 10.0 110.184 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.03 96.65 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.331 -0.855 . . . . 10.0 109.998 179.535 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.39 -34.44 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.729 -0.607 . . . . 10.0 109.883 179.252 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.44 -44.28 97.4 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.491 -0.755 . . . . 10.0 109.803 179.475 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -64.45 -39.46 93.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.61 -0.681 . . . . 10.0 109.276 178.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.81 -40.58 79.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.599 -0.688 . . . . 10.0 109.341 178.715 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -44.07 67.19 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.703 -0.623 . . . . 10.0 109.412 179.236 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -62.5 -46.69 87.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.738 -0.602 . . . . 10.0 109.585 178.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -65.69 -39.68 91.51 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.567 -0.708 . . . . 10.0 109.933 179.234 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -54.99 -48.01 73.87 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.622 -0.673 . . . . 10.0 109.496 179.226 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.43 -41.21 89.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.88 -0.513 . . . . 10.0 110.133 179.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.59 -41.94 92.28 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.428 -0.795 . . . . 10.0 109.995 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.89 81.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.519 -0.738 . . . . 10.0 110.399 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -77.78 -35.96 51.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.407 -0.808 . . . . 10.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.04 -29.77 43.72 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.5 -0.75 . . . . 10.0 110.764 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 tpt -62.08 120.67 59.99 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.361 -0.837 . . . . 10.0 110.341 -179.869 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 30' ' ' GLN . 46.1 Cg_endo -75.51 -178.88 4.59 Favored 'Trans proline' 0 C--N 1.316 -1.179 0 O-C-N 123.874 1.46 . . . . 10.0 110.84 179.885 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 29.5 mt-30 60.1 -84.94 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 O-C-N 122.168 -0.333 . . . . 10.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.912 -1.042 . . . . 10.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 120.959 0.409 . . . . 10.0 110.358 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.58 28.89 37.59 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 -179.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -115.77 134.55 54.9 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.519 -0.989 . . . . 10.0 110.084 -179.854 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -97.1 -30.38 13.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.563 -0.71 . . . . 10.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.32 -50.05 4.47 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.392 -179.754 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -35.59 63.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.517 -0.74 . . . . 10.0 110.68 179.78 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -46.66 83.3 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.713 . . . . 10.0 110.192 179.729 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 8' ' ' ILE . 74.7 mt -62.29 -45.49 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.649 -0.657 . . . . 10.0 109.845 179.601 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.43 ' HA ' HD13 ' A' ' 12' ' ' ILE . 41.1 m95 -59.86 -38.0 80.9 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.625 -0.672 . . . . 10.0 110.328 179.79 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.91 -46.06 89.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.556 -0.715 . . . . 10.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.42 -40.51 96.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.492 -0.755 . . . . 10.0 109.718 179.259 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 9' ' ' TRP . 51.9 mt -59.41 -33.76 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.506 -0.746 . . . . 10.0 109.264 179.065 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.88 -37.15 62.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.543 -0.723 . . . . 10.0 109.714 178.906 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.85 -38.4 88.08 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.518 -0.739 . . . . 10.0 109.967 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.51 -37.3 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.721 -0.612 . . . . 10.0 109.725 179.418 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -47.15 76.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.569 -0.707 . . . . 10.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -62.9 -35.88 81.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.36 -0.838 . . . . 10.0 110.11 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.66 -44.75 85.35 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.446 -0.783 . . . . 10.0 109.596 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -38.06 74.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.692 -0.63 . . . . 10.0 109.736 178.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -42.17 99.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.672 -0.642 . . . . 10.0 109.724 179.286 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -77.15 -33.08 56.7 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.502 -0.749 . . . . 10.0 109.875 179.343 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -55.18 -49.64 71.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.536 -0.727 . . . . 10.0 109.481 179.164 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.86 -38.68 89.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.891 -0.506 . . . . 10.0 110.007 179.219 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -63.18 -42.03 99.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.469 -0.769 . . . . 10.0 109.845 179.34 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.12 80.57 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.602 -0.686 . . . . 10.0 110.014 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -67.78 -39.87 84.04 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.513 -0.742 . . . . 10.0 110.21 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 tp -152.74 125.41 8.32 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.416 -0.803 . . . . 10.0 110.284 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 mmm -146.51 83.92 8.03 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.625 -0.672 . . . . 10.0 110.141 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.73 176.02 9.95 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.795 1.418 . . . . 10.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.36 137.27 10.24 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.656 -0.653 . . . . 10.0 110.323 179.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' N ' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.983 -1.008 . . . . 10.0 111.059 179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.997 0.427 . . . . 10.0 110.199 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.35 -167.79 43.55 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.859 -1.297 . . . . 10.0 109.859 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 91.12 1.84 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.435 -1.038 . . . . 10.0 110.112 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.87 -33.53 6.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.247 -0.908 . . . . 10.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tp -80.31 -33.72 37.34 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.267 -0.896 . . . . 10.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -53.68 -50.12 66.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.489 -0.757 . . . . 10.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.75 -41.49 91.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.58 -0.7 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 85.7 mt -57.96 -44.15 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.471 -0.768 . . . . 10.0 109.829 179.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -59.06 -42.11 89.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.548 -0.72 . . . . 10.0 109.616 179.483 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.73 -44.79 73.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.674 -0.641 . . . . 10.0 109.313 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.5 t90 -56.56 -41.53 77.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.748 -0.595 . . . . 10.0 110.115 179.311 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.4 -36.92 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.49 -0.756 . . . . 10.0 109.434 179.051 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.3 t -70.99 -37.63 72.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.53 -0.732 . . . . 10.0 110.086 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.54 -41.72 88.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.443 -0.786 . . . . 10.0 110.2 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.47 -37.48 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.62 -0.675 . . . . 10.0 109.946 179.432 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.68 -45.32 85.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.455 -0.778 . . . . 10.0 109.948 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -35.96 61.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.535 -0.728 . . . . 10.0 109.541 178.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.6 -37.14 86.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.645 -0.659 . . . . 10.0 110.315 179.539 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -41.39 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.507 -0.746 . . . . 10.0 110.895 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -67.51 -46.46 72.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.44 -0.788 . . . . 10.0 110.4 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 p -75.1 -34.11 61.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.26 -0.9 . . . . 10.0 110.355 179.769 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -56.09 -50.11 71.93 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.486 -0.759 . . . . 10.0 109.682 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.44 -40.7 96.24 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 120.358 -0.537 . . . . 10.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.99 -39.53 93.6 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.505 -0.747 . . . . 10.0 109.866 179.313 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.16 62.31 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.549 -0.719 . . . . 10.0 110.335 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -42.61 71.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.433 -0.792 . . . . 10.0 110.564 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.16 135.56 30.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.345 -0.847 . . . . 10.0 110.532 -179.749 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.637 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -170.94 -58.3 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.738 -0.601 . . . . 10.0 111.009 179.769 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 45.0 Cg_endo -71.27 -176.49 1.93 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 O-C-N 123.153 1.081 . . . . 10.0 111.594 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -73.47 -29.7 62.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.601 -0.687 . . . . 10.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.916 -1.04 . . . . 10.0 110.34 -179.998 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.136 0.493 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.04 70.75 1.28 Allowed Glycine 0 N--CA 1.495 2.58 0 N-CA-C 109.654 -1.379 . . . . 10.0 109.654 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 p -79.67 113.28 17.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.395 -1.062 . . . . 10.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.73 0.76 33.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.357 -0.839 . . . . 10.0 111.045 179.716 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.96 -22.7 66.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.064 -1.023 . . . . 10.0 110.43 179.485 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -42.71 91.71 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.279 -0.888 . . . . 10.0 110.164 179.531 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -80.97 -25.35 37.4 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.428 -0.795 . . . . 10.0 110.404 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -79.61 -42.33 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.233 -0.917 . . . . 10.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -56.0 -51.74 66.69 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.532 -0.73 . . . . 10.0 110.94 -179.373 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.34 -41.3 93.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.376 -0.828 . . . . 10.0 110.205 179.827 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.62 -42.8 93.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.541 -0.724 . . . . 10.0 109.884 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.5 mt -61.36 -37.75 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.514 -0.741 . . . . 10.0 109.411 179.164 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 t -66.78 -39.0 87.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.502 -0.749 . . . . 10.0 109.934 179.295 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -40.18 93.66 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.503 -0.748 . . . . 10.0 110.014 179.504 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.762 -0.586 . . . . 10.0 109.829 179.276 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -39.39 73.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.59 -0.694 . . . . 10.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -61.75 -44.24 97.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.511 -0.743 . . . . 10.0 109.664 179.379 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -72.54 -45.82 57.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 10.0 109.637 179.08 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -37.42 11.65 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.574 -0.704 . . . . 10.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.28 90.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.461 -0.774 . . . . 10.0 110.356 179.56 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.2 t -87.26 -31.23 20.37 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.312 -0.867 . . . . 10.0 110.022 179.353 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -59.41 -50.46 73.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.494 -0.754 . . . . 10.0 109.008 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.7 -39.71 91.52 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.97 -0.456 . . . . 10.0 109.83 179.185 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -62.2 -44.32 96.84 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.088 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.58 80.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.719 . . . . 10.0 109.91 179.498 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -90.09 35.81 0.86 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 10.0 110.371 179.477 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.43 28.99 7.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.298 -0.876 . . . . 10.0 110.317 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.7 tpp -123.85 72.98 54.12 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.178 -0.951 . . . . 10.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -74.52 -178.42 4.01 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 O-C-N 123.883 1.465 . . . . 10.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -114.38 154.78 27.48 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.55 -0.719 . . . . 10.0 110.278 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.3 -179.933 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.826 0.346 . . . . 10.0 110.534 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.68 -55.84 0.09 OUTLIER Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.977 -1.249 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 p -82.37 67.25 8.33 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.403 -1.057 . . . . 10.0 110.441 -179.798 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -18.94 59.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.356 -0.84 . . . . 10.0 111.036 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.03 -43.86 82.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.096 -1.002 . . . . 10.0 109.76 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -38.9 88.05 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.474 -0.766 . . . . 10.0 109.525 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.14 -43.56 82.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.66 -0.65 . . . . 10.0 109.762 179.199 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.4 mt -66.87 -44.12 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.507 -0.746 . . . . 10.0 109.687 179.443 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -39.08 93.58 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.63 -0.669 . . . . 10.0 109.993 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.11 -46.12 85.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.665 -0.647 . . . . 10.0 109.786 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -67.65 -41.02 84.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.426 -0.796 . . . . 10.0 109.763 179.09 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.1 mt -57.72 -36.63 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.52 -0.737 . . . . 10.0 109.299 178.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 t -70.87 -38.95 73.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.536 -0.728 . . . . 10.0 109.573 178.708 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.0 -43.74 98.44 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.524 -0.735 . . . . 10.0 109.72 179.157 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.99 -35.2 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.773 -0.58 . . . . 10.0 109.741 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.03 -44.58 91.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 10.0 109.613 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -67.0 -36.49 82.27 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.721 . . . . 10.0 109.296 178.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.49 -40.82 69.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.567 -0.708 . . . . 10.0 110.012 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.96 46.15 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.65 -0.657 . . . . 10.0 110.179 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -46.32 90.28 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.689 -0.632 . . . . 10.0 109.664 179.242 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -71.59 -35.93 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.783 . . . . 10.0 109.929 179.458 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.41 -47.59 81.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.534 -0.729 . . . . 10.0 109.525 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -40.93 93.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.931 -0.48 . . . . 10.0 110.288 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -40.69 61.92 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.314 -0.866 . . . . 10.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.35 93.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.49 -0.756 . . . . 10.0 109.993 179.572 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -92.33 32.48 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.488 -0.758 . . . . 10.0 110.053 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -53.63 2.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.39 -0.819 . . . . 10.0 109.957 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.409 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 2.2 mtm -61.45 -56.05 37.18 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.6 -0.687 . . . . 10.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 28' ' ' MET . 42.0 Cg_endo -72.92 -79.45 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.095 0 O-C-N 123.556 1.292 . . . . 10.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 61.39 55.71 2.8 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.618 -0.676 . . . . 10.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 117.946 -1.026 . . . . 10.0 110.503 179.735 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 120.827 0.346 . . . . 10.0 110.324 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.62 -98.92 1.66 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.484 -1.446 . . . . 10.0 109.484 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t 49.02 39.4 14.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.77 -0.841 . . . . 10.0 110.94 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.09 -55.75 14.93 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.158 -0.964 . . . . 10.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.87 -43.96 94.45 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.402 -0.811 . . . . 10.0 110.297 179.901 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.47 -37.25 86.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.594 -0.691 . . . . 10.0 110.191 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.47 -46.79 81.58 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.586 -0.696 . . . . 10.0 110.246 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.21 -44.12 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.491 -0.755 . . . . 10.0 109.962 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.458 ' HA ' HD11 ' A' ' 12' ' ' ILE . 5.4 m95 -65.12 -35.71 81.99 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.3 -0.875 . . . . 10.0 109.927 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.3 -42.91 99.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.545 -0.722 . . . . 10.0 109.549 179.005 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -65.46 -40.03 92.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.637 -0.664 . . . . 10.0 109.806 179.2 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 9' ' ' TRP . 52.7 mt -62.1 -38.23 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.591 -0.693 . . . . 10.0 109.527 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.25 -35.24 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.573 -0.705 . . . . 10.0 109.855 179.141 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.86 -43.43 83.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.585 -0.697 . . . . 10.0 109.791 179.333 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.51 -46.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.905 -0.497 . . . . 10.0 109.897 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -44.78 95.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.539 -0.726 . . . . 10.0 110.387 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -60.82 -44.36 97.0 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.462 -0.774 . . . . 10.0 109.853 179.536 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.93 -40.04 79.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.446 -0.784 . . . . 10.0 109.753 179.179 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -43.34 20.09 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.587 -0.696 . . . . 10.0 110.489 179.728 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -43.94 97.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.579 -0.701 . . . . 10.0 110.157 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -78.11 -41.04 36.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.358 -0.839 . . . . 10.0 110.164 179.657 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -57.67 -41.6 81.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.5 -0.75 . . . . 10.0 110.233 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -19.85 59.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.673 -0.642 . . . . 10.0 111.363 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -99.55 -37.79 9.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.008 -1.058 . . . . 10.0 110.817 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.93 -11.35 60.1 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.273 -0.892 . . . . 10.0 111.394 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -49.8 7.02 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.949 -1.094 . . . . 10.0 110.497 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.3 -26.99 7.76 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.469 -0.769 . . . . 10.0 111.449 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.3 tpt 53.01 77.75 0.43 Allowed Pre-proline 0 N--CA 1.5 2.075 0 O-C-N 121.359 -0.838 . . . . 10.0 110.784 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -73.99 -176.14 2.49 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.719 1.379 . . . . 10.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.8 166.4 25.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.447 0 CA-C-O 117.714 -1.136 . . . . 10.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.47 141.08 4.99 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.814 -1.314 . . . . 10.0 109.814 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -103.02 48.83 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.409 -1.054 . . . . 10.0 110.346 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -0.32 15.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.186 -0.946 . . . . 10.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.27 -50.1 73.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.137 -0.977 . . . . 10.0 109.95 179.836 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -36.63 80.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.526 -0.734 . . . . 10.0 109.566 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.51 -40.74 83.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.706 -0.621 . . . . 10.0 109.777 179.046 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mt -72.54 -32.85 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.58 -0.7 . . . . 10.0 110.169 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.4 ' HA ' ' CE3' ' A' ' 9' ' ' TRP . 9.3 t-105 -55.25 -53.24 58.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.405 -0.809 . . . . 10.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.22 -37.14 86.35 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.398 -0.814 . . . . 10.0 109.534 179.017 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -59.34 -39.99 84.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 10.0 109.869 179.142 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.2 mt -61.49 -37.99 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.481 -0.762 . . . . 10.0 109.278 179.001 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.44 -39.06 85.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 10.0 109.788 178.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -35.95 82.79 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.415 -0.803 . . . . 10.0 109.643 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.72 -24.8 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.656 -0.652 . . . . 10.0 109.619 179.011 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -52.25 65.58 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 10.0 109.799 179.502 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -66.06 -38.08 87.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.478 -0.764 . . . . 10.0 109.348 178.801 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.691 -0.63 . . . . 10.0 109.636 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -43.33 83.93 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.837 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -44.52 94.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.778 -0.576 . . . . 10.0 109.451 179.067 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.7 m -68.37 -35.42 77.69 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.544 -0.722 . . . . 10.0 109.724 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -56.84 -47.59 80.0 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.647 -0.658 . . . . 10.0 109.357 179.019 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.44 -42.91 99.5 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HA ' HD21 ' A' ' 27' ' ' LEU . 1.4 mtmt -66.3 -37.51 85.58 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.477 -0.764 . . . . 10.0 109.714 179.076 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.64 64.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.536 -0.728 . . . . 10.0 110.22 179.293 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -40.56 97.03 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.358 -0.839 . . . . 10.0 110.522 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD21 ' HA ' ' A' ' 24' ' ' LYS . 2.6 pp -89.65 1.46 55.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.433 -0.792 . . . . 10.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.6 mtp -85.15 118.46 70.88 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.12 -0.987 . . . . 10.0 110.233 179.726 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -74.92 -175.74 2.5 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.845 1.445 . . . . 10.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -137.15 148.69 46.78 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.516 -0.74 . . . . 10.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 CA-C-O 117.889 -1.053 . . . . 10.0 110.355 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.403 ' HB3' ' CD1' ' A' ' 4' ' ' TRP . 29.3 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.135 0.493 . . . . 10.0 110.377 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.69 -49.95 2.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.458 -1.457 . . . . 10.0 109.458 179.664 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -93.62 54.29 2.0 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.521 -0.987 . . . . 10.0 110.183 179.786 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 1' ' ' SER . 0.0 OUTLIER -95.19 -12.55 26.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.422 -0.799 . . . . 10.0 110.872 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 mt -58.96 -34.8 72.2 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.229 -0.919 . . . . 10.0 110.312 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -35.48 50.87 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.83 . . . . 10.0 109.291 178.868 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.1 -37.36 75.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 10.0 110.615 179.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 tp -61.16 -25.69 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.342 -0.849 . . . . 10.0 110.806 -179.802 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.45 ' HA ' HD12 ' A' ' 12' ' ' ILE . 16.3 t-105 -58.02 -41.97 84.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.338 -0.851 . . . . 10.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.25 -47.11 85.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.418 -0.801 . . . . 10.0 109.307 179.186 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.14 -40.74 86.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.57 -0.706 . . . . 10.0 109.658 179.042 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 9' ' ' TRP . 39.4 mt -62.34 -36.08 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.481 -0.762 . . . . 10.0 109.359 178.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.9 -39.7 79.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 10.0 109.987 179.131 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -37.46 85.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.524 -0.735 . . . . 10.0 109.735 179.284 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -79.14 -31.33 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -45.43 91.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -65.66 -41.37 92.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.402 -0.811 . . . . 10.0 109.316 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.06 -44.77 83.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.695 -0.628 . . . . 10.0 109.699 179.074 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -38.48 63.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.703 -0.623 . . . . 10.0 109.893 179.457 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -40.19 96.76 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.544 -0.723 . . . . 10.0 109.891 179.097 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -81.28 -36.45 29.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.339 -0.85 . . . . 10.0 109.677 179.366 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -56.44 -50.09 72.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.617 -0.677 . . . . 10.0 109.28 179.05 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.14 -39.51 94.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.86 -0.525 . . . . 10.0 110.052 179.203 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -38.92 90.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.41 -0.806 . . . . 10.0 109.837 179.28 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.69 88.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.509 -0.744 . . . . 10.0 110.308 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.07 -33.41 67.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.418 -0.802 . . . . 10.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 tp -87.13 98.94 11.58 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.083 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.12 152.79 22.47 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.537 -0.727 . . . . 10.0 110.466 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -77.93 -162.26 0.17 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.848 1.446 . . . . 10.0 110.508 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.59 -40.73 89.04 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.366 -0.834 . . . . 10.0 110.268 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 118.465 -0.779 . . . . 10.0 110.842 179.769 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 120.796 0.332 . . . . 10.0 110.43 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.77 -122.23 10.14 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.778 -1.329 . . . . 10.0 109.778 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.17 72.07 2.44 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.476 -1.014 . . . . 10.0 110.071 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.67 24.9 6.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.808 . . . . 10.0 110.698 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.48 -46.04 74.14 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.272 -0.893 . . . . 10.0 109.968 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -35.86 82.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.528 -0.733 . . . . 10.0 109.582 179.376 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -39.11 85.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.58 -0.7 . . . . 10.0 109.959 179.245 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.2 mm -68.11 -36.67 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.439 -0.788 . . . . 10.0 110.126 179.567 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.449 ' HA ' HD11 ' A' ' 12' ' ' ILE . 24.8 t-105 -55.75 -39.43 71.15 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.437 -0.789 . . . . 10.0 110.382 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.21 -46.42 83.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.4 -0.813 . . . . 10.0 109.29 179.033 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -62.34 -36.52 82.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 10.0 109.325 178.643 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' A' ' 9' ' ' TRP . 18.6 mt -58.84 -35.21 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 178.537 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.3 t -65.08 -38.27 90.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.696 -0.627 . . . . 10.0 109.457 178.654 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.28 -45.92 85.91 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.47 -0.769 . . . . 10.0 109.449 178.788 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -29.51 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.791 -0.568 . . . . 10.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -59.92 -40.48 89.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.62 -0.675 . . . . 10.0 109.917 179.271 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -45.88 90.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.422 -0.798 . . . . 10.0 109.465 178.918 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.66 -33.5 66.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.645 -0.659 . . . . 10.0 109.557 178.679 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.71 -34.9 65.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 10.0 109.309 178.87 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -59.87 -42.92 94.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.694 -0.629 . . . . 10.0 109.506 178.842 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -38.31 32.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.544 -0.722 . . . . 10.0 109.38 178.896 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -58.34 -50.19 74.53 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.672 -0.643 . . . . 10.0 109.556 179.073 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -36.09 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.876 -0.515 . . . . 10.0 110.239 179.474 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.26 -39.12 92.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.232 -0.918 . . . . 10.0 110.145 179.663 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.5 88.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.487 -0.758 . . . . 10.0 110.188 179.366 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -74.69 -24.18 58.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.423 -0.798 . . . . 10.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -39.82 81.97 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.591 -0.693 . . . . 10.0 110.784 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.47 120.72 70.34 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.414 -0.804 . . . . 10.0 109.902 179.737 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.95 178.32 5.44 Favored 'Trans proline' 0 C--N 1.315 -1.192 0 O-C-N 123.742 1.39 . . . . 10.0 111.146 -179.811 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.48 76.85 1.23 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 10.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.12 0.486 . . . . 10.0 110.479 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.84 55.53 0.38 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.575 -1.41 . . . . 10.0 109.575 -179.931 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -107.16 87.56 2.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.484 -1.009 . . . . 10.0 110.095 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.482 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -92.47 -161.12 0.8 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 10.0 110.151 179.936 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 5.1 mt 67.55 -63.57 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.941 -0.475 . . . . 10.0 110.953 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -61.37 -39.14 89.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.198 -0.939 . . . . 10.0 110.155 179.67 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -57.58 -33.54 68.29 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.703 . . . . 10.0 110.012 179.256 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.9 mt -76.55 -48.86 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.459 -0.776 . . . . 10.0 109.86 179.412 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.75 -42.81 97.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.461 -0.774 . . . . 10.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.93 -43.45 94.93 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.5 -0.75 . . . . 10.0 109.876 179.576 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.82 -37.64 84.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.449 -0.782 . . . . 10.0 109.806 179.189 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.01 -36.89 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.496 -0.752 . . . . 10.0 109.401 179.126 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -73.75 -38.02 64.87 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 10.0 109.894 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -43.77 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.39 -0.819 . . . . 10.0 109.757 179.415 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.42 -34.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.616 -0.677 . . . . 10.0 109.515 178.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -43.75 98.31 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.482 -0.761 . . . . 10.0 109.039 178.919 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 t -70.22 -38.61 75.28 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.616 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.81 -30.42 69.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.75 -0.593 . . . . 10.0 110.577 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -33.16 20.58 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.296 -0.878 . . . . 10.0 110.451 179.604 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.52 19.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.497 -0.752 . . . . 10.0 109.975 179.207 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -74.28 -42.47 59.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.346 -0.846 . . . . 10.0 110.767 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -55.78 -49.84 72.07 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.406 -0.809 . . . . 10.0 110.075 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.91 -30.98 67.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.712 -0.617 . . . . 10.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.13 -42.66 62.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.448 -0.782 . . . . 10.0 109.879 179.379 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -26.81 68.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.762 . . . . 10.0 110.501 179.383 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.23 -41.62 68.92 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.466 -0.771 . . . . 10.0 110.307 179.66 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 34.48 2.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.46 -0.775 . . . . 10.0 110.146 179.434 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 mtp -132.65 85.03 48.7 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.376 -0.827 . . . . 10.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.45 -179.93 4.93 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.758 1.399 . . . . 10.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -145.48 -52.48 0.27 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.167 -0.92 . . . . 10.0 110.234 179.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.069 0.461 . . . . 10.0 110.444 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.81 -91.71 0.08 OUTLIER Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.669 -1.372 . . . . 10.0 109.669 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 t -101.57 50.88 0.84 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.462 -1.022 . . . . 10.0 110.035 179.691 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.98 32.85 4.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 10.0 110.431 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.7 mt -112.43 -34.67 5.8 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.271 -0.893 . . . . 10.0 110.609 179.928 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -43.48 98.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.362 -0.836 . . . . 10.0 110.488 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -65.17 -37.59 87.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.334 -0.854 . . . . 10.0 110.197 179.563 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.42 -46.81 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.446 -0.784 . . . . 10.0 109.371 179.519 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -60.09 -35.2 74.67 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.546 -0.721 . . . . 10.0 109.831 179.03 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.71 -47.57 84.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.637 -0.664 . . . . 10.0 109.811 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -64.53 -38.12 89.9 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.44 -0.787 . . . . 10.0 109.5 179.033 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.37 -33.31 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.489 -0.757 . . . . 10.0 109.146 178.84 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.0 t -62.4 -36.38 82.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 10.0 109.607 178.913 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -45.29 70.41 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 178.948 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.0 -32.13 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.734 -0.604 . . . . 10.0 109.663 178.856 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -39.03 84.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.575 -0.703 . . . . 10.0 109.935 179.495 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.99 -43.57 98.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.614 -0.678 . . . . 10.0 109.517 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -35.99 62.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.662 178.737 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.27 -46.1 62.32 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.639 -0.663 . . . . 10.0 109.909 179.497 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -62.36 -44.87 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.69 -0.631 . . . . 10.0 110.016 179.394 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -67.36 -40.14 85.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.488 -0.757 . . . . 10.0 109.679 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -56.58 -47.34 79.73 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.335 0.588 . . . . 10.0 109.639 179.118 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -34.3 77.75 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.87 -0.519 . . . . 10.0 110.442 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -38.43 91.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.36 -0.837 . . . . 10.0 110.029 179.683 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.56 74.89 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.644 -0.66 . . . . 10.0 109.97 179.442 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.51 69.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.54 -0.725 . . . . 10.0 110.029 179.582 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -65.55 -31.12 72.0 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.561 -0.712 . . . . 10.0 110.357 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.8 ttm -117.87 77.22 11.63 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.373 -0.83 . . . . 10.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.15 -169.67 0.78 Allowed 'Trans proline' 0 C--N 1.316 -1.179 0 O-C-N 123.779 1.41 . . . . 10.0 110.731 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.27 57.48 4.48 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.442 -0.786 . . . . 10.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.964 -1.017 . . . . 10.0 110.22 -179.914 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.916 0.388 . . . . 10.0 110.426 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.84 156.68 7.26 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.604 -1.399 . . . . 10.0 109.604 -179.931 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.8 p -143.26 168.21 20.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.476 -1.014 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -57.63 -32.17 66.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.503 -0.748 . . . . 10.0 110.494 179.549 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -43.17 98.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.285 -0.884 . . . . 10.0 109.827 179.368 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -27.24 69.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.523 -0.735 . . . . 10.0 110.163 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.05 -40.77 62.6 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.426 -0.796 . . . . 10.0 109.691 179.178 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.9 mt -72.92 -28.86 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.552 -0.718 . . . . 10.0 110.258 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.431 ' HA ' HD11 ' A' ' 12' ' ' ILE . 5.3 m95 -55.0 -46.15 75.13 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.404 -0.81 . . . . 10.0 110.687 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.61 -43.35 99.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.898 . . . . 10.0 109.395 179.18 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.41 -41.02 88.54 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.609 -0.682 . . . . 10.0 109.822 179.081 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 9' ' ' TRP . 44.5 mt -60.73 -37.26 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.418 -0.801 . . . . 10.0 109.415 179.008 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.35 -39.66 81.78 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.584 -0.698 . . . . 10.0 109.773 179.058 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -40.57 97.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 10.0 109.975 179.492 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.91 -38.78 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.675 -0.641 . . . . 10.0 109.487 179.312 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -61.9 -39.61 92.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.505 -0.747 . . . . 10.0 109.41 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -62.57 -43.26 99.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.547 -0.721 . . . . 10.0 109.279 178.858 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -71.14 -45.28 63.88 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.596 -0.69 . . . . 10.0 109.546 178.902 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -35.41 16.83 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.586 -0.696 . . . . 10.0 110.364 179.693 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -47.42 77.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.352 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.7 t -82.49 -29.0 30.81 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.271 -0.893 . . . . 10.0 110.154 179.553 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -61.06 -46.84 89.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 10.0 109.309 178.884 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.92 -43.29 96.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.893 -0.504 . . . . 10.0 110.097 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -34.32 77.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.547 -0.721 . . . . 10.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.45 78.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.507 -0.746 . . . . 10.0 110.138 179.199 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -82.86 -7.74 59.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.405 -0.81 . . . . 10.0 110.622 179.25 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.5 -145.37 0.1 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.408 -0.807 . . . . 10.0 110.041 179.845 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.63 0.24 Allowed Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 110.598 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -75.91 -89.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.831 1.438 . . . . 10.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -98.47 -17.89 18.51 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.271 -0.893 . . . . 10.0 110.426 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.287 -0.864 . . . . 10.0 110.342 179.754 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.127 0.489 . . . . 10.0 110.425 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.77 146.58 40.34 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.565 -1.414 . . . . 10.0 109.565 179.793 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.76 117.14 31.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.503 -0.998 . . . . 10.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.75 -0.64 29.1 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.559 -0.713 . . . . 10.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.53 -49.97 69.17 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.227 -0.921 . . . . 10.0 110.232 179.858 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -64.15 -33.58 76.11 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.544 -0.723 . . . . 10.0 109.807 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.18 -39.13 91.65 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.703 -0.623 . . . . 10.0 110.115 179.21 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -79.88 -46.14 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.412 -0.805 . . . . 10.0 109.928 179.543 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -59.18 -42.67 91.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.732 . . . . 10.0 110.569 -179.926 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.96 -43.22 91.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.499 -0.751 . . . . 10.0 109.911 179.495 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -66.38 -39.85 89.33 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.449 -0.782 . . . . 10.0 109.91 179.149 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.1 mt -60.45 -34.97 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.335 -0.853 . . . . 10.0 109.597 179.378 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.47 -38.26 68.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.521 -0.737 . . . . 10.0 110.156 179.243 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -44.65 83.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.385 -0.822 . . . . 10.0 110.003 179.558 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.5 t -63.0 -33.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.648 -0.658 . . . . 10.0 109.851 179.249 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.8 tp -61.9 -50.51 71.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.513 -0.742 . . . . 10.0 109.516 179.413 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.22 -38.3 90.57 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.553 -0.717 . . . . 10.0 109.228 178.872 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.23 -41.05 90.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.654 -0.654 . . . . 10.0 109.507 178.953 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -36.1 74.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.382 -0.824 . . . . 10.0 109.535 178.912 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -62.66 -43.41 98.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.724 -0.61 . . . . 10.0 110.153 179.354 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 t -82.26 -26.35 33.26 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 10.0 110.058 179.346 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -61.55 -48.12 82.43 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.307 -0.87 . . . . 10.0 109.329 178.979 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 mp -65.09 -34.87 79.44 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.86 -0.525 . . . . 10.0 109.912 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -67.18 -32.49 73.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.486 -0.759 . . . . 10.0 109.849 179.159 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.5 58.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.525 -0.734 . . . . 10.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 27' ' ' LEU . 10.7 ptmt -69.76 -31.86 70.05 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.43 -0.794 . . . . 10.0 110.524 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -109.04 71.61 0.78 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 10.0 109.739 179.78 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.25 150.03 76.71 Favored Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.611 -0.681 . . . . 10.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -74.13 -177.25 3.11 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.832 1.438 . . . . 10.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -117.99 138.83 51.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.463 -0.773 . . . . 10.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.927 -1.035 . . . . 10.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 120.773 0.321 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.58 177.89 34.88 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.896 -1.282 . . . . 10.0 109.896 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.42 105.49 5.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.422 -1.046 . . . . 10.0 110.064 179.958 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -10.6 15.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.366 -0.834 . . . . 10.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.22 -47.45 83.47 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.134 -0.979 . . . . 10.0 110.121 179.78 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -35.81 76.84 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.825 . . . . 10.0 109.75 179.237 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.71 -39.55 84.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.626 -0.672 . . . . 10.0 110.073 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.7 mm -57.4 -38.09 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.444 -0.785 . . . . 10.0 110.112 179.66 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.462 ' HA ' HD11 ' A' ' 12' ' ' ILE . 37.8 t-105 -56.9 -43.04 80.96 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.377 -0.827 . . . . 10.0 109.711 179.273 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.44 -38.21 84.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.598 -0.689 . . . . 10.0 109.333 178.746 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -64.91 -36.49 84.53 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.584 -0.698 . . . . 10.0 109.766 179.074 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 9' ' ' TRP . 45.8 mt -63.08 -36.1 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.374 -0.829 . . . . 10.0 109.235 179.002 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -70.64 -33.42 70.96 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.57 -0.706 . . . . 10.0 109.93 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -36.93 80.29 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 10.0 110.03 179.318 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.0 t -80.0 -19.24 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.694 -0.629 . . . . 10.0 110.287 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.17 -40.62 67.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.422 -0.799 . . . . 10.0 111.0 -179.715 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 p -60.26 -43.42 96.17 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.313 -0.867 . . . . 10.0 110.024 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.46 -40.4 85.34 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.555 -0.716 . . . . 10.0 109.712 179.128 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.06 71.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.493 -0.754 . . . . 10.0 109.347 178.867 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -42.48 99.07 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.668 -0.645 . . . . 10.0 109.454 178.817 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -74.73 -39.54 61.81 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.473 -0.767 . . . . 10.0 109.291 178.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -57.88 -48.75 78.93 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.324 0.583 . . . . 10.0 109.529 178.945 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.26 -34.72 79.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.93 -0.481 . . . . 10.0 110.563 179.739 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.7 -43.98 97.81 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.237 -0.915 . . . . 10.0 110.24 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.56 73.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.615 -0.678 . . . . 10.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -72.9 -14.59 61.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.464 -0.773 . . . . 10.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.43 37.14 0.9 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.166 -0.959 . . . . 10.0 110.758 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 30.3 ttp -111.06 114.31 53.94 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.208 -0.933 . . . . 10.0 109.885 179.664 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -72.4 175.6 9.83 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.83 1.437 . . . . 10.0 111.268 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -48.48 5.24 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.621 -0.674 . . . . 10.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 118.207 -0.901 . . . . 10.0 110.883 -179.861 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.96 -126.05 35.96 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.784 -1.326 . . . . 10.0 109.784 179.965 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -86.14 84.75 7.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.494 -1.003 . . . . 10.0 109.714 179.617 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -97.78 11.68 36.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.462 -0.774 . . . . 10.0 111.081 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.64 -41.22 88.62 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.044 -1.035 . . . . 10.0 109.823 179.534 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -75.64 -30.86 59.6 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.386 -0.821 . . . . 10.0 109.194 178.67 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -36.46 84.14 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.811 -0.556 . . . . 10.0 110.41 179.467 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 tt -64.34 -32.66 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.417 -0.802 . . . . 10.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -59.84 -38.88 83.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.381 -0.824 . . . . 10.0 110.469 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.15 -47.27 85.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.529 -0.732 . . . . 10.0 110.07 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.5 -39.35 88.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.46 -0.775 . . . . 10.0 109.865 179.294 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.23 -36.93 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.409 -0.807 . . . . 10.0 109.222 179.042 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.3 t -70.09 -34.67 73.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.619 -0.676 . . . . 10.0 109.576 178.747 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.52 -38.05 89.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.55 -0.719 . . . . 10.0 109.854 179.144 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.63 -34.88 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.643 -0.661 . . . . 10.0 109.626 179.344 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.73 -50.22 74.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.495 -0.753 . . . . 10.0 109.526 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -67.58 -36.13 80.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.509 -0.744 . . . . 10.0 109.52 178.806 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.39 -44.63 90.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.614 -0.679 . . . . 10.0 109.752 179.166 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -36.5 73.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.559 -0.713 . . . . 10.0 109.435 178.91 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.75 -38.62 91.78 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.757 -0.589 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -71.66 -36.63 70.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.448 -0.782 . . . . 10.0 109.665 179.124 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.77 -52.87 63.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.593 -0.692 . . . . 10.0 109.411 179.292 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.56 -36.79 85.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.939 -0.475 . . . . 10.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -69.45 -43.14 73.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.513 -0.742 . . . . 10.0 109.806 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.39 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.524 -0.735 . . . . 10.0 110.3 179.357 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -27.9 65.57 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.327 -0.858 . . . . 10.0 110.456 179.595 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.04 -18.56 34.0 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.367 -0.833 . . . . 10.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.507 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 64.9 mmm -57.46 -53.71 62.63 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.315 -0.866 . . . . 10.0 111.202 -179.622 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 28' ' ' MET . 46.4 Cg_endo -74.15 -94.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.042 0 O-C-N 123.371 1.195 . . . . 10.0 110.56 179.891 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.16 -43.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.109 -0.994 . . . . 10.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.932 -1.032 . . . . 10.0 110.063 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.064 0.459 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.66 -143.65 21.71 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.585 -1.406 . . . . 10.0 109.585 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p 38.24 50.23 1.4 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.024 -0.691 . . . . 10.0 111.516 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.453 ' CZ3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -109.59 -155.16 0.55 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.349 -0.845 . . . . 10.0 110.043 179.692 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt 69.91 -63.86 0.37 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.591 -0.693 . . . . 10.0 110.151 -179.34 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -40.98 89.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.269 -0.894 . . . . 10.0 109.57 179.054 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.85 -33.46 62.13 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 10.0 110.015 179.177 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.453 HD11 ' CZ3' ' A' ' 4' ' ' TRP . 39.4 mm -62.93 -45.21 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.421 -0.8 . . . . 10.0 109.83 179.606 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -57.89 -38.56 76.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.452 -0.78 . . . . 10.0 109.391 178.991 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.89 -39.52 69.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.661 -0.649 . . . . 10.0 109.663 178.995 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -63.08 -44.52 95.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.529 -0.732 . . . . 10.0 109.961 179.405 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.04 -37.21 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.742 . . . . 10.0 109.524 179.204 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 t -72.66 -36.72 68.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 10.0 109.943 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -38.13 89.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.439 -0.788 . . . . 10.0 110.051 179.389 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.4 t -72.19 -27.62 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.513 -0.742 . . . . 10.0 109.839 179.216 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -41.19 40.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 10.0 110.731 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -65.35 -46.88 78.42 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.343 -0.848 . . . . 10.0 110.17 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.81 -33.68 74.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.522 -0.736 . . . . 10.0 110.244 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -38.01 55.27 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.654 -0.654 . . . . 10.0 110.045 179.277 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.41 -49.01 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 10.0 109.683 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 m -65.07 -38.42 90.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.553 -0.717 . . . . 10.0 109.962 179.469 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -55.2 -50.56 69.09 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.572 -0.705 . . . . 10.0 109.645 179.179 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.58 -39.51 84.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.801 -0.562 . . . . 10.0 110.209 179.394 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -65.37 -39.05 91.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.535 -0.728 . . . . 10.0 110.231 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.5 69.02 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.541 -0.724 . . . . 10.0 110.49 179.569 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -90.25 -28.89 18.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.285 -0.884 . . . . 10.0 110.624 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.38 -41.97 12.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.306 -0.871 . . . . 10.0 110.702 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.1 mtm -99.92 112.47 63.94 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 110.398 -179.856 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -78.0 -171.99 1.36 Allowed 'Trans proline' 0 C--N 1.315 -1.19 0 O-C-N 123.804 1.423 . . . . 10.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -90.49 -174.51 4.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.427 -0.796 . . . . 10.0 110.252 179.673 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 CA-C-O 117.835 -1.079 . . . . 10.0 110.197 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 121.094 0.473 . . . . 10.0 110.461 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.54 -141.28 3.15 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.749 -1.341 . . . . 10.0 109.749 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -82.16 94.88 7.35 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.509 -0.995 . . . . 10.0 110.186 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 3.95 24.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.333 -0.854 . . . . 10.0 111.053 -180.0 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.96 -50.81 63.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.132 -0.98 . . . . 10.0 109.675 179.461 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -35.4 80.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.514 -0.741 . . . . 10.0 109.644 179.001 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.01 -50.74 71.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.566 -0.708 . . . . 10.0 109.854 179.274 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.36 -52.29 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.704 -0.622 . . . . 10.0 110.072 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.404 ' HA ' HD13 ' A' ' 12' ' ' ILE . 17.6 t-105 -57.7 -40.0 78.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.513 -0.742 . . . . 10.0 110.625 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.18 -45.94 91.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.652 -0.655 . . . . 10.0 109.912 179.517 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -63.44 -40.83 98.2 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.496 -0.753 . . . . 10.0 109.884 179.273 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 9' ' ' TRP . 43.4 mt -61.25 -36.34 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.502 -0.749 . . . . 10.0 109.6 179.274 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -68.41 -38.74 81.54 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.539 -0.726 . . . . 10.0 110.02 179.29 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -34.43 78.07 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.513 -0.742 . . . . 10.0 110.259 179.649 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.56 -29.51 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.599 -0.688 . . . . 10.0 110.409 179.742 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.13 -56.38 22.51 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.456 -0.778 . . . . 10.0 110.106 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -64.58 -36.66 84.94 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.416 -0.803 . . . . 10.0 109.717 179.321 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.04 -37.99 89.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.687 . . . . 10.0 110.015 179.294 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -41.44 60.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.519 -0.738 . . . . 10.0 109.732 179.481 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -62.06 -48.64 79.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.818 -0.552 . . . . 10.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -72.75 -32.44 65.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.373 -0.829 . . . . 10.0 110.265 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -56.75 -50.27 72.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.524 -0.735 . . . . 10.0 109.384 179.085 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -40.39 96.62 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 120.518 -0.473 . . . . 10.0 109.83 179.199 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -64.94 -39.9 94.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.515 -0.741 . . . . 10.0 109.783 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.5 -24.44 63.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.513 -0.742 . . . . 10.0 110.258 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.68 -45.89 67.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.38 -0.825 . . . . 10.0 110.486 179.753 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -101.54 119.81 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.397 -0.815 . . . . 10.0 110.278 179.925 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.62 82.44 14.07 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.582 -0.698 . . . . 10.0 110.152 179.963 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -75.07 -176.7 3.02 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 O-C-N 123.758 1.399 . . . . 10.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -127.23 84.41 2.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.546 -0.722 . . . . 10.0 109.832 179.731 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.892 -1.052 . . . . 10.0 110.233 -179.915 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.933 0.397 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.74 -161.94 27.42 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.577 -1.409 . . . . 10.0 109.577 -179.844 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -105.03 21.6 16.8 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.417 -1.049 . . . . 10.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -102.92 -31.92 10.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.108 -0.995 . . . . 10.0 110.585 179.872 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -37.24 71.1 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.42 -0.8 . . . . 10.0 110.247 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -55.48 -41.64 73.27 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.427 -0.796 . . . . 10.0 109.819 179.172 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' N ' ' HD3' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -78.99 -38.53 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.66 -0.65 . . . . 10.0 110.211 179.842 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 57.7 mt -66.46 -50.27 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.444 -0.785 . . . . 10.0 109.93 179.862 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -60.23 -34.71 74.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.494 -0.754 . . . . 10.0 109.796 179.333 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.56 -48.18 82.92 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.65 -0.656 . . . . 10.0 109.816 179.18 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -68.47 -40.55 80.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.452 -0.78 . . . . 10.0 109.537 179.057 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.5 -36.19 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.493 -0.754 . . . . 10.0 109.104 178.885 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 t -65.44 -37.58 87.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.482 -0.761 . . . . 10.0 109.413 178.645 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -48.1 80.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.59 -0.694 . . . . 10.0 109.275 178.753 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.3 -34.15 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.913 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.06 -38.4 73.2 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.584 -0.697 . . . . 10.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -44.34 87.82 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.4 -0.813 . . . . 10.0 109.491 179.39 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.83 -43.3 46.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.578 -0.701 . . . . 10.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -42.72 69.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.701 -0.624 . . . . 10.0 109.766 179.456 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -60.23 -43.54 95.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.668 -0.645 . . . . 10.0 109.985 179.166 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -74.26 -39.9 62.7 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.39 -0.819 . . . . 10.0 109.696 179.246 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -57.5 -51.01 71.21 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.669 -0.645 . . . . 10.0 109.449 179.08 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -36.18 81.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.879 -0.513 . . . . 10.0 109.963 179.244 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -59.79 -35.76 75.33 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.486 -0.759 . . . . 10.0 110.209 179.421 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.38 57.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.458 -0.776 . . . . 10.0 110.601 179.645 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -42.05 13.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 10.0 110.493 -179.96 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.75 145.84 50.2 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.397 -0.814 . . . . 10.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.636 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 7.1 ttt -171.1 -58.57 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.408 -0.808 . . . . 10.0 110.846 179.775 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.636 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 45.5 Cg_endo -71.52 -174.14 1.17 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.104 1.055 . . . . 10.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 56.39 58.85 3.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.676 -0.64 . . . . 10.0 110.383 179.917 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.532 -1.223 . . . . 10.0 110.477 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.53 -43.71 80.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.438 -0.789 . . . . 10.0 110.185 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.0 p -71.58 -38.79 70.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.466 -0.771 . . . . 10.0 110.033 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.37 -38.81 85.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -30.12 65.6 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.293 -0.88 . . . . 10.0 109.994 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -34.58 25.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 10.0 110.825 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -85.61 -43.63 13.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.141 -0.974 . . . . 10.0 110.886 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -54.67 -51.04 66.75 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.403 -0.811 . . . . 10.0 110.008 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.794 -0.566 . . . . 10.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -75.42 -44.78 42.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.27 -0.894 . . . . 10.0 110.381 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.94 68.37 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.666 -0.646 . . . . 10.0 111.008 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 tttp . . . . . 0 N--CA 1.498 1.938 0 O-C-N 121.333 -0.854 . . . . 10.0 110.717 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.62 -49.41 76.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.437 -0.789 . . . . 10.0 109.372 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -65.57 -37.78 87.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.612 -0.68 . . . . 10.0 109.302 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.19 -40.98 94.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.726 -0.609 . . . . 10.0 109.596 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -44.34 61.61 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.667 -0.646 . . . . 10.0 109.892 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.45 96.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.732 -0.605 . . . . 10.0 109.853 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -74.54 -36.85 63.15 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.391 -0.818 . . . . 10.0 110.076 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -54.89 -49.79 70.34 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.562 -0.711 . . . . 10.0 109.718 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -37.32 80.51 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.869 -0.519 . . . . 10.0 110.172 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -65.4 -42.57 92.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.408 -0.808 . . . . 10.0 109.859 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.95 -10.28 59.3 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.495 -0.753 . . . . 10.0 110.829 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 tptt . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.095 -1.003 . . . . 10.0 110.302 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.51 82.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.582 -0.699 . . . . 10.0 109.761 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -60.03 -43.91 94.98 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.594 -0.692 . . . . 10.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.05 -32.93 61.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.675 -0.641 . . . . 10.0 109.751 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.61 -42.06 32.9 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.601 -0.687 . . . . 10.0 110.181 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -62.23 -39.21 92.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.699 -0.626 . . . . 10.0 110.217 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -84.02 -39.99 18.96 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.358 -0.839 . . . . 10.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.55 -46.58 80.63 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.751 . . . . 10.0 109.629 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.2 mm? -61.57 -42.26 98.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.6 . . . . 10.0 109.791 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.86 -37.05 81.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.366 -0.834 . . . . 10.0 109.711 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.71 81.56 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 10.0 110.362 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.1 tttt . . . . . 0 N--CA 1.498 1.967 0 O-C-N 121.3 -0.875 . . . . 10.0 110.428 179.655 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 121.103 0.478 . . . . 10.0 109.954 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 tp -76.65 -42.46 41.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.376 -0.827 . . . . 10.0 110.109 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -40.99 76.51 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.429 -0.795 . . . . 10.0 110.111 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.75 -31.69 73.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.516 -0.74 . . . . 10.0 110.353 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -44.04 52.45 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.386 -0.821 . . . . 10.0 109.955 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.11 -45.68 90.85 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.748 -0.595 . . . . 10.0 109.919 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -69.89 -37.93 76.17 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.415 -0.803 . . . . 10.0 110.219 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -53.77 -50.17 66.63 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.626 -0.671 . . . . 10.0 109.694 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.08 -39.73 90.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.876 -0.515 . . . . 10.0 110.071 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -64.6 -41.85 95.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.45 -0.781 . . . . 10.0 109.962 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.84 82.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.603 -0.686 . . . . 10.0 110.456 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 10.0 110.505 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 121.039 0.447 . . . . 10.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.4 tm? -74.25 -41.96 60.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.53 -0.731 . . . . 10.0 109.77 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -69.4 -40.1 77.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.478 -0.764 . . . . 10.0 110.325 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 21' ' ' THR . 16.1 t70 -70.19 -39.28 75.31 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.386 -0.821 . . . . 10.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -37.26 62.57 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.234 -0.916 . . . . 10.0 110.341 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.86 -39.92 94.32 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.543 -0.723 . . . . 10.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 18' ' ' ASP . 9.3 t -87.66 -27.07 22.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.126 -0.984 . . . . 10.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.558 ' HE3' HD12 ' A' ' 23' ' ' LEU . 38.0 t90 -60.15 -51.68 68.55 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.18 -0.95 . . . . 10.0 109.255 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' HE3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -62.01 -38.77 89.88 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 120.479 -0.488 . . . . 10.0 110.103 179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -64.39 -40.75 96.42 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.532 -0.73 . . . . 10.0 109.93 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.46 73.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.709 . . . . 10.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.413 -0.804 . . . . 10.0 110.163 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 64.6 t . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.86 -46.23 37.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 10.0 110.182 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -66.66 -40.45 88.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.372 -0.83 . . . . 10.0 109.791 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.9 -31.97 68.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.652 -0.655 . . . . 10.0 109.889 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -51.3 -45.3 62.13 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.769 . . . . 10.0 110.195 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -47.67 78.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.601 -0.687 . . . . 10.0 110.784 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 p -68.87 -36.4 78.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.208 -0.933 . . . . 10.0 109.944 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -58.38 -49.13 78.34 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.514 -0.741 . . . . 10.0 109.13 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -33.41 73.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.866 -0.521 . . . . 10.0 110.204 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -70.25 -16.49 63.04 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.101 -0.999 . . . . 10.0 110.594 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.1 -31.78 9.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.297 -0.877 . . . . 10.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.213 -0.929 . . . . 10.0 111.56 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -58.43 -50.99 71.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.541 -0.724 . . . . 10.0 110.312 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -63.36 -39.1 93.62 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 10.0 109.464 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -43.38 87.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.654 -0.654 . . . . 10.0 109.404 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.93 -37.43 63.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.535 -0.728 . . . . 10.0 109.799 179.138 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -33.7 76.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 10.0 110.263 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.37 -41.97 10.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.242 -0.911 . . . . 10.0 109.94 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.53 -48.71 76.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.694 -0.629 . . . . 10.0 109.815 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.0 mm? -64.62 -39.05 93.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.742 -0.599 . . . . 10.0 109.958 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.91 -37.05 83.63 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.48 -0.762 . . . . 10.0 109.883 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -31.97 65.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.576 -0.703 . . . . 10.0 110.434 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.386 -0.821 . . . . 10.0 110.483 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.67 0.271 . . . . 10.0 110.39 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.33 92.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.368 -0.832 . . . . 10.0 110.081 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.5 t -69.4 -40.24 77.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.32 -0.862 . . . . 10.0 109.818 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.14 -34.7 68.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.583 -0.698 . . . . 10.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -43.96 14.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.374 -0.829 . . . . 10.0 110.801 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -66.77 -42.74 85.58 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.6 -0.688 . . . . 10.0 110.157 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -75.38 -41.61 55.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.345 -0.847 . . . . 10.0 110.094 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -56.14 -49.47 73.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 10.0 109.8 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.26 -38.86 92.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.866 -0.521 . . . . 10.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -72.25 -42.33 65.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.302 -0.874 . . . . 10.0 110.161 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.53 71.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.504 -0.748 . . . . 10.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.279 -0.888 . . . . 10.0 110.409 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -49.16 78.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 10.0 109.758 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -37.12 70.63 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.385 -0.822 . . . . 10.0 109.527 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.05 -36.21 83.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.574 -0.704 . . . . 10.0 109.895 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -37.98 48.17 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 10.0 110.481 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -61.52 -36.05 79.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.269 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -90.81 -42.25 10.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.389 -0.819 . . . . 10.0 109.973 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -55.32 -46.69 76.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.751 -0.593 . . . . 10.0 110.209 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.9 mm? -65.78 -40.54 92.08 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.674 -0.641 . . . . 10.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -70.1 -38.77 75.74 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.382 -0.824 . . . . 10.0 109.939 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.26 66.78 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.637 -0.664 . . . . 10.0 110.897 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 N--CA 1.497 1.887 0 O-C-N 121.266 -0.896 . . . . 10.0 110.766 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -44.06 83.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.665 -0.647 . . . . 10.0 110.683 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -61.59 -44.28 97.31 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.466 -0.771 . . . . 10.0 109.723 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.89 -38.0 82.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.582 -0.699 . . . . 10.0 109.482 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -40.77 69.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.652 -0.655 . . . . 10.0 109.266 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -61.69 -45.51 93.66 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -67.86 -38.83 83.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.424 -0.798 . . . . 10.0 109.597 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -56.13 -48.42 76.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.603 -0.685 . . . . 10.0 109.658 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.68 -41.37 94.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.812 -0.555 . . . . 10.0 110.136 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -68.96 -38.26 79.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.429 -0.794 . . . . 10.0 109.764 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.34 90.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.599 -0.688 . . . . 10.0 109.998 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.444 -0.785 . . . . 10.0 110.403 179.498 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -46.92 88.15 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.489 -0.757 . . . . 10.0 109.758 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -74.57 -36.11 63.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 10.0 109.446 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.17 -33.29 75.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.716 -0.615 . . . . 10.0 110.308 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -42.57 26.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.502 -0.749 . . . . 10.0 110.46 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -39.2 89.4 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.64 -0.663 . . . . 10.0 110.196 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.94 -36.35 41.8 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 10.0 109.867 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -54.11 -50.84 65.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.626 -0.671 . . . . 10.0 109.537 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.75 -38.9 87.53 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.815 -0.553 . . . . 10.0 110.19 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -39.82 94.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 10.0 110.088 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.89 -22.87 49.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.443 -0.786 . . . . 10.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tptm . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.186 -0.946 . . . . 10.0 110.742 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.04 -43.97 97.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.349 -0.844 . . . . 10.0 109.892 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -78.0 -39.93 40.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 10.0 109.688 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.54 -25.71 66.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.527 -0.733 . . . . 10.0 110.357 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -36.19 63.01 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.344 -0.848 . . . . 10.0 110.101 179.359 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -67.14 -36.13 81.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.48 -0.762 . . . . 10.0 110.366 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -89.21 -41.95 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.256 -0.902 . . . . 10.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -57.8 -48.02 80.92 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.489 -0.757 . . . . 10.0 110.089 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.7 mm? -61.1 -41.92 97.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.685 -0.634 . . . . 10.0 110.387 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -73.6 -34.22 64.96 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.26 -0.9 . . . . 10.0 110.099 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -24.97 65.0 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.562 -0.711 . . . . 10.0 110.737 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.789 0 O-C-N 121.3 -0.875 . . . . 10.0 110.667 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.89 -37.74 80.25 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.576 -0.703 . . . . 10.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.67 87.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.337 -0.852 . . . . 10.0 109.354 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.45 -32.98 70.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.629 -0.669 . . . . 10.0 109.464 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 t80 -49.89 -40.59 43.46 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.535 -0.728 . . . . 10.0 109.793 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.97 -45.1 75.11 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.659 -0.65 . . . . 10.0 110.131 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 4.9 m -72.54 -44.16 62.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.514 -0.741 . . . . 10.0 110.517 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.34 96.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.292 -0.88 . . . . 10.0 109.914 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.603 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.7 mm? -66.83 -37.48 84.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.671 -0.643 . . . . 10.0 111.067 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -70.84 -25.35 62.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.05 -1.031 . . . . 10.0 110.553 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . -80.71 -32.7 35.75 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.215 -0.928 . . . . 10.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.956 0 O-C-N 121.479 -0.763 . . . . 10.0 111.241 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -42.53 86.33 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.668 -0.645 . . . . 10.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 p -62.05 -44.96 95.56 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.312 -0.867 . . . . 10.0 109.953 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.3 -40.71 90.19 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.628 -0.67 . . . . 10.0 109.667 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -36.92 75.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.56 -0.713 . . . . 10.0 109.548 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.74 95.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.74 -0.6 . . . . 10.0 109.881 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -70.11 -36.36 74.79 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 10.0 109.68 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -58.47 -48.45 80.74 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.606 -0.684 . . . . 10.0 109.484 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.23 -37.42 72.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.933 -0.48 . . . . 10.0 110.127 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -40.14 94.82 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.475 -0.766 . . . . 10.0 109.867 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 -33.42 59.64 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.508 -0.745 . . . . 10.0 110.055 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 tptt . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.403 -0.811 . . . . 10.0 110.432 179.868 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.78 -42.85 81.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.438 -0.789 . . . . 10.0 110.227 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -75.02 -41.11 59.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.498 -0.751 . . . . 10.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.43 -24.55 62.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.395 -0.816 . . . . 10.0 110.542 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.09 44.61 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.226 -0.921 . . . . 10.0 110.178 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.33 -47.96 68.98 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.604 -0.685 . . . . 10.0 110.205 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 p -72.79 -36.39 67.6 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.32 -0.863 . . . . 10.0 110.409 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' HE3' HD12 ' A' ' 23' ' ' LEU . 73.2 t90 -55.72 -51.89 65.79 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.715 . . . . 10.0 109.613 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' HE3' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -60.49 -40.31 90.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.814 -0.554 . . . . 10.0 110.454 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -69.37 -39.88 77.77 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.271 -0.893 . . . . 10.0 109.988 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.86 68.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.547 -0.721 . . . . 10.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tttm . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.447 -0.783 . . . . 10.0 110.721 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 120.893 0.378 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.27 -41.52 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.494 -0.754 . . . . 10.0 109.917 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -40.58 98.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.453 -0.78 . . . . 10.0 109.786 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.48 -33.06 74.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 10.0 109.894 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -34.14 24.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.389 -0.819 . . . . 10.0 109.846 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.57 75.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.631 -0.668 . . . . 10.0 109.521 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -77.8 -33.09 52.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.479 -0.763 . . . . 10.0 110.176 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -57.37 -49.82 74.93 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.517 -0.74 . . . . 10.0 109.489 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -41.08 97.13 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.741 -0.599 . . . . 10.0 109.89 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -67.92 -34.72 77.16 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.567 -0.708 . . . . 10.0 109.922 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.64 68.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.599 -0.688 . . . . 10.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.003 0 O-C-N 121.374 -0.828 . . . . 10.0 110.198 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 120.942 0.401 . . . . 10.0 109.945 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -44.22 95.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.803 . . . . 10.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 p -58.07 -40.72 81.73 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 109.927 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.13 -37.84 53.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.536 -0.728 . . . . 10.0 109.603 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -48.78 12.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.748 -0.595 . . . . 10.0 110.579 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -63.71 -43.56 96.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.551 -0.718 . . . . 10.0 110.412 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 m -70.87 -38.18 73.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.326 -0.859 . . . . 10.0 109.955 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -54.47 -48.24 72.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.62 -0.675 . . . . 10.0 109.861 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -43.86 90.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.781 -0.574 . . . . 10.0 110.421 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -40.05 84.69 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.492 -0.755 . . . . 10.0 110.239 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -26.82 67.33 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.537 -0.727 . . . . 10.0 110.552 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttt . . . . . 0 N--CA 1.497 1.901 0 O-C-N 121.324 -0.86 . . . . 10.0 110.703 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.924 0.392 . . . . 10.0 110.119 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.96 -48.08 72.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 10.0 110.306 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.65 83.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.31 -0.869 . . . . 10.0 110.083 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -35.52 78.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.558 -0.714 . . . . 10.0 110.141 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -48.61 41.21 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.533 -0.729 . . . . 10.0 110.381 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -63.53 -44.82 93.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 10.0 110.356 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 m -70.17 -37.78 75.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.407 -0.808 . . . . 10.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -54.91 -50.18 69.43 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.719 . . . . 10.0 109.607 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.86 -41.67 95.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.815 -0.553 . . . . 10.0 110.33 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -66.55 -45.24 80.06 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.39 -0.819 . . . . 10.0 110.345 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.72 73.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.402 -0.811 . . . . 10.0 110.545 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.395 -0.816 . . . . 10.0 110.558 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 10.0 109.42 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -67.91 -38.15 82.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.597 -0.689 . . . . 10.0 109.145 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.05 -42.28 89.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 10.0 109.737 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.15 -47.66 23.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.779 -0.576 . . . . 10.0 110.137 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.27 -46.58 86.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.582 -0.699 . . . . 10.0 109.993 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.79 -35.49 77.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.534 -0.729 . . . . 10.0 110.146 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -56.7 -47.48 79.82 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.646 -0.659 . . . . 10.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.94 -44.21 96.7 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.912 -0.492 . . . . 10.0 110.015 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -66.54 -41.3 88.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.8 . . . . 10.0 109.999 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.35 -29.46 68.19 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.529 -0.732 . . . . 10.0 110.359 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.346 -0.846 . . . . 10.0 110.687 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 94.5 t . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.12 -33.84 75.22 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.449 -0.782 . . . . 10.0 110.411 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.2 -36.39 13.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.37 -0.831 . . . . 10.0 110.094 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.17 -31.78 70.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.27 -0.894 . . . . 10.0 110.502 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -49.72 -44.58 48.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.447 -0.783 . . . . 10.0 109.98 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -61.98 -44.84 95.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.922 -0.486 . . . . 10.0 110.052 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -71.34 -40.2 70.85 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.436 -0.79 . . . . 10.0 109.994 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -56.33 -46.99 79.66 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.512 -0.743 . . . . 10.0 109.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -40.03 87.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.738 -0.601 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -70.87 -44.25 66.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.901 . . . . 10.0 110.172 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.5 94.87 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.596 -0.69 . . . . 10.0 110.284 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tttp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.381 -0.825 . . . . 10.0 110.084 179.487 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.19 98.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.461 -0.775 . . . . 10.0 109.655 179.265 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -76.05 -39.95 54.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.452 -0.78 . . . . 10.0 109.649 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.96 -29.98 69.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.604 -0.685 . . . . 10.0 110.535 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -39.83 32.14 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.34 -0.85 . . . . 10.0 110.196 179.497 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -45.91 77.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.595 -0.69 . . . . 10.0 110.455 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 p -75.69 -42.52 50.81 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 10.0 110.258 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -54.5 -54.11 45.42 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.699 -0.625 . . . . 10.0 109.9 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.06 -31.4 71.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.752 -0.593 . . . . 10.0 110.512 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -69.51 -33.7 73.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.158 -0.964 . . . . 10.0 109.955 179.324 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.86 -46.16 46.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.734 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.419 -0.8 . . . . 10.0 110.376 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 N--CA 1.497 1.918 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -37.84 74.42 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.59 -0.694 . . . . 10.0 110.097 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -61.18 -45.97 92.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.598 -0.689 . . . . 10.0 109.492 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -43.02 74.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.649 -0.657 . . . . 10.0 109.258 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -40.42 60.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.816 -0.552 . . . . 10.0 109.966 179.422 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -57.72 -43.47 85.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.647 -0.658 . . . . 10.0 109.812 179.183 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 -37.94 34.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 179.104 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -56.34 -50.4 71.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.43 -34.46 78.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.831 -0.543 . . . . 10.0 110.409 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -34.26 77.38 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.288 -0.883 . . . . 10.0 110.116 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.81 -33.6 68.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.391 -0.818 . . . . 10.0 110.017 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 10.0 110.49 -179.996 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.83 -40.41 88.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 10.0 109.842 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -43.13 98.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.52 -0.737 . . . . 10.0 109.41 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.27 -37.64 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.64 -0.663 . . . . 10.0 109.461 178.7 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -41.81 35.55 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.669 -0.644 . . . . 10.0 110.271 179.603 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -42.92 98.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.187 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.67 -44.81 16.63 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.436 -0.79 . . . . 10.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -46.43 67.74 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.562 -0.711 . . . . 10.0 110.085 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 -43.61 98.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.725 -0.61 . . . . 10.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -70.1 -34.96 73.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -0.841 . . . . 10.0 109.817 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.97 -16.54 61.79 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.768 -0.582 . . . . 10.0 110.889 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.24 -0.913 . . . . 10.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -38.17 79.24 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.731 -0.606 . . . . 10.0 109.516 178.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -46.93 85.28 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.45 -41.77 84.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.609 -0.682 . . . . 10.0 109.412 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -42.01 64.6 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.681 -0.637 . . . . 10.0 109.997 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -59.3 -38.1 79.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.649 -0.657 . . . . 10.0 110.371 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -87.39 -39.57 15.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.323 -0.861 . . . . 10.0 110.088 179.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -57.75 -46.02 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.541 -0.724 . . . . 10.0 109.974 179.585 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.0 mm? -64.94 -41.11 95.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.705 -0.622 . . . . 10.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.4 -32.12 66.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.332 -0.855 . . . . 10.0 110.052 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.18 75.32 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.43 -0.794 . . . . 10.0 110.188 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tttm . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.383 -0.823 . . . . 10.0 110.589 179.913 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.52 -43.95 76.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.293 -0.879 . . . . 10.0 109.765 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 t -64.32 -39.58 94.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.387 -0.821 . . . . 10.0 109.245 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.81 -36.95 76.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.61 -0.681 . . . . 10.0 109.976 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -41.46 41.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 10.0 110.128 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -59.63 -42.47 92.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.659 -0.651 . . . . 10.0 109.526 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -78.18 -40.55 37.35 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 10.0 109.495 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -54.32 -48.49 71.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.771 -0.581 . . . . 10.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.43 98.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.663 -0.648 . . . . 10.0 109.863 179.378 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -35.54 80.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -0.798 . . . . 10.0 110.056 179.218 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.06 66.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 10.0 110.445 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tptt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.331 -0.856 . . . . 10.0 110.272 179.326 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.613 0.244 . . . . 10.0 110.664 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.44 -46.32 37.51 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.362 -0.837 . . . . 10.0 110.468 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.6 p -73.14 -40.43 64.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.301 -0.874 . . . . 10.0 109.721 178.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.53 -34.45 72.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.746 -0.596 . . . . 10.0 110.399 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -38.9 56.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.454 -0.778 . . . . 10.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -60.17 -42.73 95.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.439 -0.788 . . . . 10.0 110.224 179.334 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.76 18.63 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -0.772 . . . . 10.0 110.379 179.729 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -49.89 75.59 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 10.0 109.886 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.22 -34.31 77.37 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.672 -0.643 . . . . 10.0 109.955 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -39.38 94.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.359 -0.838 . . . . 10.0 109.718 179.19 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 -22.74 58.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.544 -0.722 . . . . 10.0 110.57 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.283 -0.886 . . . . 10.0 111.212 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.7 -40.08 71.91 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.621 -0.674 . . . . 10.0 110.194 179.643 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -61.79 -43.58 98.56 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.468 -0.77 . . . . 10.0 109.556 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -72.02 -34.92 69.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.457 -0.777 . . . . 10.0 109.392 178.61 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -39.97 63.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 10.0 109.581 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -47.84 83.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.29 -38.18 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.589 -0.694 . . . . 10.0 109.765 179.114 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -54.75 -49.26 71.26 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.701 -0.624 . . . . 10.0 109.562 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.07 -34.2 77.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.846 -0.534 . . . . 10.0 110.07 179.323 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.46 -39.43 87.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.464 -0.772 . . . . 10.0 109.897 179.233 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.31 -28.1 59.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 10.0 110.074 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 N--CA 1.499 1.976 0 O-C-N 121.468 -0.77 . . . . 10.0 110.866 179.573 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 N--CA 1.499 1.977 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.75 -43.81 97.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -62.15 -40.81 97.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.575 -0.703 . . . . 10.0 109.609 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.586 -0.696 . . . . 10.0 109.617 179.204 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -40.39 74.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.695 -0.628 . . . . 10.0 109.578 179.01 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -63.26 -42.1 99.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.766 -0.584 . . . . 10.0 109.551 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -70.68 -36.1 73.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.741 . . . . 10.0 109.649 179.195 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 26' ' ' LYS . 2.1 t90 -54.84 -49.2 71.66 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.803 -0.56 . . . . 10.0 109.802 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -71.88 -37.06 70.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.772 -0.58 . . . . 10.0 110.063 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -39.78 94.92 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.305 -0.872 . . . . 10.0 109.676 179.316 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.576 -0.703 . . . . 10.0 110.061 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 22' ' ' TRP . 8.8 mtpt . . . . . 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.326 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.37 -36.0 79.01 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.592 -0.693 . . . . 10.0 109.761 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -70.68 -44.04 67.85 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.428 -0.795 . . . . 10.0 109.149 178.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.06 -27.08 68.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.577 -0.702 . . . . 10.0 109.842 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -35.18 63.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.37 -0.831 . . . . 10.0 109.61 178.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -59.0 -49.27 78.54 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 10.0 109.154 178.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -39.75 75.84 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.431 -0.793 . . . . 10.0 109.089 178.401 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -56.73 -51.83 67.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 10.0 109.62 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -34.81 74.58 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.786 -0.571 . . . . 10.0 110.039 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -36.36 80.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.435 -0.79 . . . . 10.0 109.847 179.23 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.73 -28.85 33.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.544 -0.723 . . . . 10.0 109.762 178.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.541 -0.724 . . . . 10.0 110.571 179.217 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 120.801 0.334 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.89 -46.1 71.29 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.386 -0.821 . . . . 10.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -60.77 -43.36 98.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 10.0 109.876 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.12 -33.65 65.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.521 -0.737 . . . . 10.0 109.979 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -45.25 61.96 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.605 -0.684 . . . . 10.0 110.172 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -44.18 94.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.606 -0.684 . . . . 10.0 109.98 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -68.8 -38.49 79.99 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.524 -0.735 . . . . 10.0 109.906 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.693 . . . . 10.0 109.666 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.75 -37.08 70.58 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.832 -0.543 . . . . 10.0 110.57 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -70.44 -34.95 73.05 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 10.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.4 -10.19 54.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.97 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 10.0 110.798 -179.69 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 120.968 0.413 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -45.2 89.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.509 -0.745 . . . . 10.0 110.667 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -61.67 -40.85 96.41 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.391 -0.818 . . . . 10.0 109.95 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.27 -40.02 71.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.449 -0.782 . . . . 10.0 109.4 178.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -37.53 71.01 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 10.0 109.486 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -57.8 -45.55 85.91 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.772 -0.58 . . . . 10.0 109.549 178.925 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -70.44 -34.8 72.88 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.474 -0.766 . . . . 10.0 109.772 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -55.26 -49.51 71.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.595 -0.69 . . . . 10.0 109.506 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.84 -36.13 79.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 109.999 179.244 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -44.23 92.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.438 -0.788 . . . . 10.0 109.882 179.37 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.5 78.46 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.688 -0.632 . . . . 10.0 110.212 179.41 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tttm . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.504 -0.747 . . . . 10.0 110.143 179.428 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -45.37 92.9 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.558 -0.714 . . . . 10.0 110.26 179.695 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -62.29 -41.04 98.16 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.356 -0.84 . . . . 10.0 109.6 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.57 -42.55 78.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.615 -0.678 . . . . 10.0 109.695 179.04 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.82 -44.62 49.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.709 -0.619 . . . . 10.0 110.42 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -37.4 87.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.711 -0.618 . . . . 10.0 110.549 179.732 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 m -82.88 -33.78 26.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -56.64 -49.51 74.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.595 -0.691 . . . . 10.0 109.603 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -35.53 80.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.806 -0.559 . . . . 10.0 110.179 179.443 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.13 -32.39 63.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.387 -0.821 . . . . 10.0 110.7 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.8 -34.5 19.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.358 -0.839 . . . . 10.0 111.008 -179.558 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm . . . . . 0 N--CA 1.496 1.863 0 O-C-N 121.236 -0.915 . . . . 10.0 110.964 -179.483 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 120.628 0.252 . . . . 10.0 110.508 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.9 -45.67 78.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.46 -0.775 . . . . 10.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.5 -0.75 . . . . 10.0 109.778 179.512 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.14 -44.35 80.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.485 -0.759 . . . . 10.0 109.517 179.063 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.16 -41.98 28.36 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.697 -0.627 . . . . 10.0 110.328 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.26 -42.57 98.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.588 -0.695 . . . . 10.0 110.542 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -84.57 -40.16 17.89 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 10.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -56.43 -44.2 80.16 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.577 -0.702 . . . . 10.0 110.141 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.6 mm? -66.82 -37.62 84.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.812 -0.555 . . . . 10.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -77.94 -35.84 49.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.194 -0.941 . . . . 10.0 110.245 179.648 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.5 61.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 tttp . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.236 -0.915 . . . . 10.0 110.624 -179.862 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.44 -44.28 97.4 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.491 -0.755 . . . . 10.0 109.803 179.475 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -64.45 -39.46 93.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.61 -0.681 . . . . 10.0 109.276 178.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.81 -40.58 79.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.599 -0.688 . . . . 10.0 109.341 178.715 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -44.07 67.19 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.703 -0.623 . . . . 10.0 109.412 179.236 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -62.5 -46.69 87.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.738 -0.602 . . . . 10.0 109.585 178.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -65.69 -39.68 91.51 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.567 -0.708 . . . . 10.0 109.933 179.234 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -54.99 -48.01 73.87 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.622 -0.673 . . . . 10.0 109.496 179.226 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.43 -41.21 89.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.88 -0.513 . . . . 10.0 110.133 179.37 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.59 -41.94 92.28 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.428 -0.795 . . . . 10.0 109.995 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.89 81.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.519 -0.738 . . . . 10.0 110.399 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.407 -0.808 . . . . 10.0 110.509 179.752 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 121.133 0.492 . . . . 10.0 109.725 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -47.15 76.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.569 -0.707 . . . . 10.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -62.9 -35.88 81.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.36 -0.838 . . . . 10.0 110.11 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.66 -44.75 85.35 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.446 -0.783 . . . . 10.0 109.596 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -38.06 74.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.692 -0.63 . . . . 10.0 109.736 178.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -42.17 99.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.672 -0.642 . . . . 10.0 109.724 179.286 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -77.15 -33.08 56.7 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.502 -0.749 . . . . 10.0 109.875 179.343 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -55.18 -49.64 71.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.536 -0.727 . . . . 10.0 109.481 179.164 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.86 -38.68 89.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.891 -0.506 . . . . 10.0 110.007 179.219 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -63.18 -42.03 99.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.469 -0.769 . . . . 10.0 109.845 179.34 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.12 80.57 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.602 -0.686 . . . . 10.0 110.014 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.513 -0.742 . . . . 10.0 110.21 179.562 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 120.936 0.398 . . . . 10.0 109.946 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.68 -45.32 85.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.455 -0.778 . . . . 10.0 109.948 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -35.96 61.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.535 -0.728 . . . . 10.0 109.541 178.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.6 -37.14 86.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.645 -0.659 . . . . 10.0 110.315 179.539 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -41.39 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.507 -0.746 . . . . 10.0 110.895 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -67.51 -46.46 72.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.44 -0.788 . . . . 10.0 110.4 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 p -75.1 -34.11 61.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.26 -0.9 . . . . 10.0 110.355 179.769 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -56.09 -50.11 71.93 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.486 -0.759 . . . . 10.0 109.682 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.44 -40.7 96.24 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 120.358 -0.537 . . . . 10.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.99 -39.53 93.6 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.505 -0.747 . . . . 10.0 109.866 179.313 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.16 62.31 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.549 -0.719 . . . . 10.0 110.335 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.433 -0.792 . . . . 10.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -39.39 73.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.59 -0.694 . . . . 10.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -61.75 -44.24 97.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.511 -0.743 . . . . 10.0 109.664 179.379 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' O ' HG22 ' A' ' 21' ' ' THR . 7.2 t70 -72.54 -45.82 57.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 10.0 109.637 179.08 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -37.42 11.65 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.574 -0.704 . . . . 10.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.28 90.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.461 -0.774 . . . . 10.0 110.356 179.56 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' ASP . 11.2 t -87.26 -31.23 20.37 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.312 -0.867 . . . . 10.0 110.022 179.353 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -59.41 -50.46 73.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.494 -0.754 . . . . 10.0 109.008 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.7 -39.71 91.52 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.97 -0.456 . . . . 10.0 109.83 179.185 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -62.2 -44.32 96.84 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.088 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.58 80.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.719 . . . . 10.0 109.91 179.498 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 10.0 110.371 179.477 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.03 -44.58 91.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 10.0 109.613 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -67.0 -36.49 82.27 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.721 . . . . 10.0 109.296 178.738 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.49 -40.82 69.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.567 -0.708 . . . . 10.0 110.012 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.96 46.15 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.65 -0.657 . . . . 10.0 110.179 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -46.32 90.28 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.689 -0.632 . . . . 10.0 109.664 179.242 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -71.59 -35.93 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.783 . . . . 10.0 109.929 179.458 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.41 -47.59 81.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.534 -0.729 . . . . 10.0 109.525 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -40.93 93.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.931 -0.48 . . . . 10.0 110.288 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -40.69 61.92 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.314 -0.866 . . . . 10.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.35 93.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.49 -0.756 . . . . 10.0 109.993 179.572 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tttm . . . . . 0 N--CA 1.496 1.833 0 O-C-N 121.488 -0.758 . . . . 10.0 110.053 179.171 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -44.78 95.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.539 -0.726 . . . . 10.0 110.387 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -60.82 -44.36 97.0 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.462 -0.774 . . . . 10.0 109.853 179.536 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.93 -40.04 79.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.446 -0.784 . . . . 10.0 109.753 179.179 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -43.34 20.09 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.587 -0.696 . . . . 10.0 110.489 179.728 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -43.94 97.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.579 -0.701 . . . . 10.0 110.157 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -78.11 -41.04 36.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.358 -0.839 . . . . 10.0 110.164 179.657 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -57.67 -41.6 81.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.5 -0.75 . . . . 10.0 110.233 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -19.85 59.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.673 -0.642 . . . . 10.0 111.363 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -99.55 -37.79 9.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.008 -1.058 . . . . 10.0 110.817 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.93 -11.35 60.1 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.273 -0.892 . . . . 10.0 111.394 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 O-C-N 120.949 -1.094 . . . . 10.0 110.497 -179.793 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.619 -0.511 . . . . 10.0 109.619 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -52.25 65.58 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 10.0 109.799 179.502 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -66.06 -38.08 87.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.478 -0.764 . . . . 10.0 109.348 178.801 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.691 -0.63 . . . . 10.0 109.636 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -43.33 83.93 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.837 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -44.52 94.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.778 -0.576 . . . . 10.0 109.451 179.067 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.7 m -68.37 -35.42 77.69 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.544 -0.722 . . . . 10.0 109.724 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -56.84 -47.59 80.0 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.647 -0.658 . . . . 10.0 109.357 179.019 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.44 -42.91 99.5 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -66.3 -37.51 85.58 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.477 -0.764 . . . . 10.0 109.714 179.076 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.64 64.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.536 -0.728 . . . . 10.0 110.22 179.293 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.358 -0.839 . . . . 10.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -45.43 91.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -65.66 -41.37 92.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.402 -0.811 . . . . 10.0 109.316 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.06 -44.77 83.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.695 -0.628 . . . . 10.0 109.699 179.074 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -38.48 63.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.703 -0.623 . . . . 10.0 109.893 179.457 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -40.19 96.76 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.544 -0.723 . . . . 10.0 109.891 179.097 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -81.28 -36.45 29.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.339 -0.85 . . . . 10.0 109.677 179.366 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -56.44 -50.09 72.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.617 -0.677 . . . . 10.0 109.28 179.05 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.14 -39.51 94.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.86 -0.525 . . . . 10.0 110.052 179.203 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -38.92 90.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.41 -0.806 . . . . 10.0 109.837 179.28 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.69 88.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.509 -0.744 . . . . 10.0 110.308 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.418 -0.802 . . . . 10.0 110.441 179.811 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.1 tm? -59.92 -40.48 89.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.62 -0.675 . . . . 10.0 109.917 179.271 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -45.88 90.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.422 -0.798 . . . . 10.0 109.465 178.918 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.66 -33.5 66.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.645 -0.659 . . . . 10.0 109.557 178.679 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.42 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.71 -34.9 65.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 10.0 109.309 178.87 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -59.87 -42.92 94.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.694 -0.629 . . . . 10.0 109.506 178.842 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -38.31 32.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.544 -0.722 . . . . 10.0 109.38 178.896 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -58.34 -50.19 74.53 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.672 -0.643 . . . . 10.0 109.556 179.073 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -36.09 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.876 -0.515 . . . . 10.0 110.239 179.474 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.26 -39.12 92.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.232 -0.918 . . . . 10.0 110.145 179.663 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.5 88.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.487 -0.758 . . . . 10.0 110.188 179.366 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.423 -0.798 . . . . 10.0 110.362 179.528 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -61.5 -43.75 98.31 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.482 -0.761 . . . . 10.0 109.039 178.919 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 t -70.22 -38.61 75.28 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.616 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.81 -30.42 69.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.75 -0.593 . . . . 10.0 110.577 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -33.16 20.58 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.296 -0.878 . . . . 10.0 110.451 179.604 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.52 19.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.497 -0.752 . . . . 10.0 109.975 179.207 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -74.28 -42.47 59.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.346 -0.846 . . . . 10.0 110.767 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -55.78 -49.84 72.07 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.406 -0.809 . . . . 10.0 110.075 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.91 -30.98 67.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.712 -0.617 . . . . 10.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.13 -42.66 62.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.448 -0.782 . . . . 10.0 109.879 179.379 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -26.81 68.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.762 . . . . 10.0 110.501 179.383 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt . . . . . 0 N--CA 1.498 1.954 0 O-C-N 121.466 -0.771 . . . . 10.0 110.307 179.66 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -39.03 84.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.575 -0.703 . . . . 10.0 109.935 179.495 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.99 -43.57 98.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.614 -0.678 . . . . 10.0 109.517 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -35.99 62.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.662 178.737 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.27 -46.1 62.32 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.639 -0.663 . . . . 10.0 109.909 179.497 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -62.36 -44.87 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.69 -0.631 . . . . 10.0 110.016 179.394 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -67.36 -40.14 85.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.488 -0.757 . . . . 10.0 109.679 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -56.58 -47.34 79.73 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.335 0.588 . . . . 10.0 109.639 179.118 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -34.3 77.75 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.87 -0.519 . . . . 10.0 110.442 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -38.43 91.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.36 -0.837 . . . . 10.0 110.029 179.683 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.56 74.89 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.644 -0.66 . . . . 10.0 109.97 179.442 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.54 -0.725 . . . . 10.0 110.029 179.582 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -61.9 -39.61 92.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.505 -0.747 . . . . 10.0 109.41 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -62.57 -43.26 99.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.547 -0.721 . . . . 10.0 109.279 178.858 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' HG22 ' A' ' 21' ' ' THR . 6.3 t70 -71.14 -45.28 63.88 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.596 -0.69 . . . . 10.0 109.546 178.902 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -35.41 16.83 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.586 -0.696 . . . . 10.0 110.364 179.693 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -47.42 77.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.352 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 18' ' ' ASP . 9.7 t -82.49 -29.0 30.81 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.271 -0.893 . . . . 10.0 110.154 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -61.06 -46.84 89.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 10.0 109.309 178.884 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.92 -43.29 96.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.893 -0.504 . . . . 10.0 110.097 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -34.32 77.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.547 -0.721 . . . . 10.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.45 78.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.507 -0.746 . . . . 10.0 110.138 179.199 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.405 -0.81 . . . . 10.0 110.622 179.25 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.8 tp -61.9 -50.51 71.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.513 -0.742 . . . . 10.0 109.516 179.413 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.22 -38.3 90.57 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.553 -0.717 . . . . 10.0 109.228 178.872 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.479 ' O ' HG22 ' A' ' 21' ' ' THR . 2.8 t70 -66.23 -41.05 90.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.654 -0.654 . . . . 10.0 109.507 178.953 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -36.1 74.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.382 -0.824 . . . . 10.0 109.535 178.912 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -62.66 -43.41 98.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.724 -0.61 . . . . 10.0 110.153 179.354 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 18' ' ' ASP . 13.9 t -82.26 -26.35 33.26 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 10.0 110.058 179.346 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' HE3' HD12 ' A' ' 23' ' ' LEU . 42.5 t90 -61.55 -48.12 82.43 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.307 -0.87 . . . . 10.0 109.329 178.979 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 mp -65.09 -34.87 79.44 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.86 -0.525 . . . . 10.0 109.912 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -67.18 -32.49 73.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.486 -0.759 . . . . 10.0 109.849 179.159 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.5 58.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.525 -0.734 . . . . 10.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 10.7 ptmt . . . . . 0 N--CA 1.499 1.999 0 O-C-N 121.43 -0.794 . . . . 10.0 110.524 179.787 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.0 t . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 120.953 0.406 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.17 -40.62 67.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.422 -0.799 . . . . 10.0 111.0 -179.715 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 p -60.26 -43.42 96.17 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.313 -0.867 . . . . 10.0 110.024 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.46 -40.4 85.34 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.555 -0.716 . . . . 10.0 109.712 179.128 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.06 71.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.493 -0.754 . . . . 10.0 109.347 178.867 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -42.48 99.07 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.668 -0.645 . . . . 10.0 109.454 178.817 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -74.73 -39.54 61.81 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.473 -0.767 . . . . 10.0 109.291 178.985 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -57.88 -48.75 78.93 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.324 0.583 . . . . 10.0 109.529 178.945 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.26 -34.72 79.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.93 -0.481 . . . . 10.0 110.563 179.739 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.7 -43.98 97.81 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.237 -0.915 . . . . 10.0 110.24 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.56 73.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.615 -0.678 . . . . 10.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.464 -0.773 . . . . 10.0 111.085 179.826 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.73 -50.22 74.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.495 -0.753 . . . . 10.0 109.526 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -67.58 -36.13 80.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.509 -0.744 . . . . 10.0 109.52 178.806 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.39 -44.63 90.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.614 -0.679 . . . . 10.0 109.752 179.166 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -36.5 73.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.559 -0.713 . . . . 10.0 109.435 178.91 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.75 -38.62 91.78 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.757 -0.589 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -71.66 -36.63 70.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.448 -0.782 . . . . 10.0 109.665 179.124 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.77 -52.87 63.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.593 -0.692 . . . . 10.0 109.411 179.292 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.56 -36.79 85.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.939 -0.475 . . . . 10.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -69.45 -43.14 73.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.513 -0.742 . . . . 10.0 109.806 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.39 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.524 -0.735 . . . . 10.0 110.3 179.357 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.828 0 O-C-N 121.327 -0.858 . . . . 10.0 110.456 179.595 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.065 0.46 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -41.19 40.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 10.0 110.731 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -65.35 -46.88 78.42 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.343 -0.848 . . . . 10.0 110.17 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.81 -33.68 74.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.522 -0.736 . . . . 10.0 110.244 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -38.01 55.27 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.654 -0.654 . . . . 10.0 110.045 179.277 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.41 -49.01 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 10.0 109.683 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 m -65.07 -38.42 90.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.553 -0.717 . . . . 10.0 109.962 179.469 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.435 ' HE3' HD12 ' A' ' 23' ' ' LEU . 19.9 t90 -55.2 -50.56 69.09 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.572 -0.705 . . . . 10.0 109.645 179.179 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD12 ' HE3' ' A' ' 22' ' ' TRP . 1.5 mp -67.58 -39.51 84.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.801 -0.562 . . . . 10.0 110.209 179.394 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -65.37 -39.05 91.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.535 -0.728 . . . . 10.0 110.231 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.5 69.02 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.541 -0.724 . . . . 10.0 110.49 179.569 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.285 -0.884 . . . . 10.0 110.624 179.975 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 120.707 0.289 . . . . 10.0 110.409 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.13 -56.38 22.51 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.456 -0.778 . . . . 10.0 110.106 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -64.58 -36.66 84.94 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.416 -0.803 . . . . 10.0 109.717 179.321 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.04 -37.99 89.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.687 . . . . 10.0 110.015 179.294 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -41.44 60.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.519 -0.738 . . . . 10.0 109.732 179.481 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -62.06 -48.64 79.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.818 -0.552 . . . . 10.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -72.75 -32.44 65.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.373 -0.829 . . . . 10.0 110.265 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -56.75 -50.27 72.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.524 -0.735 . . . . 10.0 109.384 179.085 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -40.39 96.62 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 120.518 -0.473 . . . . 10.0 109.83 179.199 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -64.94 -39.9 94.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.515 -0.741 . . . . 10.0 109.783 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.5 -24.44 63.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.513 -0.742 . . . . 10.0 110.258 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptt . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.38 -0.825 . . . . 10.0 110.486 179.753 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.06 -38.4 73.2 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.584 -0.697 . . . . 10.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -44.34 87.82 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.4 -0.813 . . . . 10.0 109.491 179.39 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.83 -43.3 46.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.578 -0.701 . . . . 10.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -42.72 69.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.701 -0.624 . . . . 10.0 109.766 179.456 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -60.23 -43.54 95.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.668 -0.645 . . . . 10.0 109.985 179.166 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -74.26 -39.9 62.7 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.39 -0.819 . . . . 10.0 109.696 179.246 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -57.5 -51.01 71.21 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.669 -0.645 . . . . 10.0 109.449 179.08 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -36.18 81.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.879 -0.513 . . . . 10.0 109.963 179.244 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -59.79 -35.76 75.33 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.486 -0.759 . . . . 10.0 110.209 179.421 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.38 57.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.458 -0.776 . . . . 10.0 110.601 179.645 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 10.0 110.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.1 0.476 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.11 -85.88 1.79 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.551 -1.42 . . . . 10.0 109.551 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -97.96 113.55 25.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.439 -1.036 . . . . 10.0 110.195 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.481 ' CE3' HD12 ' A' ' 8' ' ' ILE . 3.4 t90 -117.59 -54.94 2.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.488 -0.757 . . . . 10.0 110.438 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.27 -10.8 59.9 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.382 -0.824 . . . . 10.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -47.63 4.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.158 -0.964 . . . . 10.0 109.975 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.494 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 6.2 t70 -66.54 -41.07 89.26 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.529 -0.732 . . . . 10.0 110.24 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.481 HD12 ' CE3' ' A' ' 4' ' ' TRP . 96.2 mt -75.06 -19.37 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.309 -0.869 . . . . 10.0 110.466 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.88 94.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.194 -0.942 . . . . 10.0 110.514 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.82 -40.94 97.02 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.328 -0.857 . . . . 10.0 109.664 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.58 -43.35 85.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.512 -0.743 . . . . 10.0 109.712 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mt -59.01 -33.08 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.495 -0.753 . . . . 10.0 109.675 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.99 -39.26 69.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.501 -0.749 . . . . 10.0 110.082 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.05 -37.23 81.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.4 -0.812 . . . . 10.0 110.245 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.91 -34.15 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.523 -0.736 . . . . 10.0 109.626 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.53 -43.71 80.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.438 -0.789 . . . . 10.0 110.185 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.0 p -71.58 -38.79 70.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.466 -0.771 . . . . 10.0 110.033 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.37 -38.81 85.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -30.12 65.6 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.293 -0.88 . . . . 10.0 109.994 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -34.58 25.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 10.0 110.825 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -85.61 -43.63 13.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.141 -0.974 . . . . 10.0 110.886 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -54.67 -51.04 66.75 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.403 -0.811 . . . . 10.0 110.008 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.794 -0.566 . . . . 10.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -75.42 -44.78 42.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.27 -0.894 . . . . 10.0 110.381 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.94 68.37 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.666 -0.646 . . . . 10.0 111.008 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -60.51 -44.81 95.6 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.333 -0.854 . . . . 10.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tp -114.65 -165.68 1.04 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.31 -0.868 . . . . 10.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.03 150.78 0.12 Allowed Pre-proline 0 N--CA 1.505 2.311 0 O-C-N 121.842 -0.536 . . . . 10.0 111.211 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -74.72 -83.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.744 1.391 . . . . 10.0 110.59 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -79.78 108.93 13.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.226 -0.921 . . . . 10.0 109.628 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.502 2.132 0 CA-C-O 118.761 -0.638 . . . . 10.0 110.3 -179.509 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 120.995 0.426 . . . . 10.0 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 146.74 17.22 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.623 -1.391 . . . . 10.0 109.623 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -79.89 136.74 36.74 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.431 -1.041 . . . . 10.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -108.33 -42.83 4.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.402 -0.811 . . . . 10.0 110.726 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.71 -49.83 69.76 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.46 -0.775 . . . . 10.0 110.577 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -61.3 -37.82 84.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.324 -0.86 . . . . 10.0 110.041 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.7 -39.39 84.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.682 -0.636 . . . . 10.0 110.238 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.8 mt -80.6 -30.73 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.356 -0.84 . . . . 10.0 110.328 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -56.61 -47.66 79.16 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.423 -0.798 . . . . 10.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.74 -39.86 93.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.458 -0.776 . . . . 10.0 109.786 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.92 -40.77 97.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.588 -0.695 . . . . 10.0 109.802 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.5 mt -60.35 -37.45 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.397 -0.815 . . . . 10.0 109.43 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.4 t -70.72 -35.49 72.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 10.0 110.23 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.93 -43.38 75.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.304 -0.873 . . . . 10.0 110.267 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.26 -37.53 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.562 -0.712 . . . . 10.0 109.953 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.62 -49.41 76.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.437 -0.789 . . . . 10.0 109.372 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -65.57 -37.78 87.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.612 -0.68 . . . . 10.0 109.302 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.19 -40.98 94.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.726 -0.609 . . . . 10.0 109.596 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -44.34 61.61 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.667 -0.646 . . . . 10.0 109.892 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.45 96.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.732 -0.605 . . . . 10.0 109.853 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -74.54 -36.85 63.15 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.391 -0.818 . . . . 10.0 110.076 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -54.89 -49.79 70.34 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.562 -0.711 . . . . 10.0 109.718 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -37.32 80.51 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.869 -0.519 . . . . 10.0 110.172 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -65.4 -42.57 92.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.408 -0.808 . . . . 10.0 109.859 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.95 -10.28 59.3 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.495 -0.753 . . . . 10.0 110.829 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -99.38 -52.7 3.43 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.095 -1.003 . . . . 10.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -124.48 131.05 53.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.377 -0.827 . . . . 10.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.648 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 3.4 ttt -161.61 -61.89 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.664 -0.648 . . . . 10.0 110.716 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 49.9 Cg_endo -73.84 -175.19 1.99 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 O-C-N 123.11 1.058 . . . . 10.0 111.072 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.05 -167.68 0.12 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-O 121.274 0.559 . . . . 10.0 110.937 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 117.957 -1.02 . . . . 10.0 110.281 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.083 0.468 . . . . 10.0 110.391 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.26 -58.39 4.69 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.071 -1.611 . . . . 10.0 109.071 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -81.66 154.52 26.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.506 -0.996 . . . . 10.0 109.896 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.43 -41.33 4.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.469 -0.769 . . . . 10.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.46 -53.74 5.48 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 10.0 110.338 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -60.73 -36.5 79.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.486 -0.759 . . . . 10.0 110.592 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.09 -41.69 97.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.522 -0.737 . . . . 10.0 110.556 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 12' ' ' ILE . 64.3 mt -80.0 -35.79 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.895 . . . . 10.0 110.084 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' HA ' HD12 ' A' ' 12' ' ' ILE . 19.1 t-105 -56.6 -50.61 71.47 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.512 -0.742 . . . . 10.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -44.8 90.17 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.492 -0.755 . . . . 10.0 109.782 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.546 -0.721 . . . . 10.0 110.29 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 9' ' ' TRP . 37.1 mt -59.35 -41.99 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.296 -0.878 . . . . 10.0 109.144 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -66.12 -40.13 90.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.626 -0.671 . . . . 10.0 109.394 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -46.47 89.94 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.578 -0.701 . . . . 10.0 109.4 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.21 -35.82 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.51 82.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.582 -0.699 . . . . 10.0 109.761 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -60.03 -43.91 94.98 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.594 -0.692 . . . . 10.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.05 -32.93 61.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.675 -0.641 . . . . 10.0 109.751 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.61 -42.06 32.9 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.601 -0.687 . . . . 10.0 110.181 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -62.23 -39.21 92.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.699 -0.626 . . . . 10.0 110.217 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -84.02 -39.99 18.96 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.358 -0.839 . . . . 10.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.55 -46.58 80.63 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.751 . . . . 10.0 109.629 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.2 mm? -61.57 -42.26 98.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.6 . . . . 10.0 109.791 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.86 -37.05 81.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.366 -0.834 . . . . 10.0 109.711 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.71 81.56 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 10.0 110.362 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -68.81 -30.76 69.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.3 -0.875 . . . . 10.0 110.428 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -52.47 5.65 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.351 -0.843 . . . . 10.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 tpt -96.82 116.73 66.19 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 121.391 -0.818 . . . . 10.0 110.221 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.71 -176.43 2.56 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.908 1.478 . . . . 10.0 111.209 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -132.09 142.46 49.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.509 -0.744 . . . . 10.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.867 -1.063 . . . . 10.0 110.405 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.877 0.37 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.84 142.01 3.5 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.578 -1.409 . . . . 10.0 109.578 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 p -102.46 86.2 2.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.441 -1.035 . . . . 10.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.623 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -62.34 -35.86 80.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.424 -0.797 . . . . 10.0 110.257 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.78 -46.57 84.39 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.552 -0.717 . . . . 10.0 109.995 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -37.63 72.19 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.558 -0.714 . . . . 10.0 109.877 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.82 -39.2 93.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.631 -0.668 . . . . 10.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 4' ' ' TRP . 2.0 mt -76.84 -48.13 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 10.0 109.948 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -57.17 -45.9 83.28 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 10.0 110.058 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.12 -42.83 99.61 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.647 -0.658 . . . . 10.0 110.113 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -60.39 -41.61 94.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 10.0 109.934 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.0 -34.44 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.473 -0.767 . . . . 10.0 109.429 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.8 t -69.16 -37.52 78.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.516 -0.74 . . . . 10.0 109.99 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -39.62 78.23 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.496 -0.752 . . . . 10.0 110.177 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.43 -33.29 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.683 -0.636 . . . . 10.0 109.954 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 tp -76.65 -42.46 41.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.376 -0.827 . . . . 10.0 110.109 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -40.99 76.51 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.429 -0.795 . . . . 10.0 110.111 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.75 -31.69 73.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.516 -0.74 . . . . 10.0 110.353 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -44.04 52.45 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.386 -0.821 . . . . 10.0 109.955 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.11 -45.68 90.85 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.748 -0.595 . . . . 10.0 109.919 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -69.89 -37.93 76.17 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.415 -0.803 . . . . 10.0 110.219 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -53.77 -50.17 66.63 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.626 -0.671 . . . . 10.0 109.694 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.08 -39.73 90.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.876 -0.515 . . . . 10.0 110.071 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -64.6 -41.85 95.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.45 -0.781 . . . . 10.0 109.962 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.84 82.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.603 -0.686 . . . . 10.0 110.456 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.36 -29.73 66.47 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 10.0 110.505 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 48.42 0.87 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.375 -0.828 . . . . 10.0 110.148 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 tpp -124.6 121.1 25.81 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 10.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 30' ' ' GLN . 46.8 Cg_endo -75.33 -178.53 4.3 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.815 1.429 . . . . 10.0 110.962 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER 70.19 -65.91 0.3 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 122.005 -0.435 . . . . 10.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.153 0 CA-C-O 118.197 -0.906 . . . . 10.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 121.006 0.431 . . . . 10.0 110.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.34 -98.16 1.24 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.572 -1.411 . . . . 10.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.27 67.79 1.19 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.484 -1.01 . . . . 10.0 110.134 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.11 77.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.373 -0.83 . . . . 10.0 110.447 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -38.77 82.0 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.433 -0.792 . . . . 10.0 110.095 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -67.93 -40.23 83.37 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.405 -0.809 . . . . 10.0 109.65 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.28 -40.07 73.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.696 -0.628 . . . . 10.0 110.306 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mt -78.87 -32.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 10.0 110.323 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.563 ' HA ' HD12 ' A' ' 12' ' ' ILE . 63.4 t-105 -52.88 -52.42 57.5 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.492 -0.755 . . . . 10.0 110.665 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.89 -40.47 88.83 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.435 -0.791 . . . . 10.0 109.945 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -63.14 -39.25 94.12 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.496 -0.753 . . . . 10.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 9' ' ' TRP . 36.5 mt -60.92 -38.94 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.424 -0.797 . . . . 10.0 109.17 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -68.79 -33.02 73.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.675 -0.641 . . . . 10.0 109.747 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -67.79 -44.94 76.21 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.537 -0.727 . . . . 10.0 109.953 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.7 t -59.76 -37.85 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.874 -0.516 . . . . 10.0 109.947 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.4 tm? -74.25 -41.96 60.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.53 -0.731 . . . . 10.0 109.77 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -69.4 -40.1 77.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.478 -0.764 . . . . 10.0 110.325 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 21' ' ' THR . 16.1 t70 -70.19 -39.28 75.31 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.386 -0.821 . . . . 10.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -37.26 62.57 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.234 -0.916 . . . . 10.0 110.341 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.86 -39.92 94.32 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.543 -0.723 . . . . 10.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 18' ' ' ASP . 9.3 t -87.66 -27.07 22.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.126 -0.984 . . . . 10.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.558 ' HE3' HD12 ' A' ' 23' ' ' LEU . 38.0 t90 -60.15 -51.68 68.55 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.18 -0.95 . . . . 10.0 109.255 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' HE3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -62.01 -38.77 89.88 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 120.479 -0.488 . . . . 10.0 110.103 179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -64.39 -40.75 96.42 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.532 -0.73 . . . . 10.0 109.93 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.46 73.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.709 . . . . 10.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -38.37 65.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.413 -0.804 . . . . 10.0 110.163 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.92 129.81 19.42 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.405 -0.81 . . . . 10.0 110.678 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtm -141.66 82.79 13.66 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.427 -0.796 . . . . 10.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.87 -176.47 2.62 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 O-C-N 123.852 1.449 . . . . 10.0 111.131 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -89.96 176.88 6.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.512 -0.743 . . . . 10.0 110.31 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.396 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.103 0.478 . . . . 10.0 110.328 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.52 -110.67 2.08 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.344 -1.503 . . . . 10.0 109.344 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 100.22 8.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.5 -1.0 . . . . 10.0 110.057 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.24 -36.44 4.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.454 -0.779 . . . . 10.0 110.552 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.591 ' HA ' HD12 ' A' ' 8' ' ' ILE . 23.2 mt -67.82 -24.85 65.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.459 -0.776 . . . . 10.0 110.682 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -54.76 -47.42 73.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.351 -0.843 . . . . 10.0 110.632 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.02 -35.0 75.72 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.45 -0.781 . . . . 10.0 110.187 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 5' ' ' LEU . 10.7 mt -78.81 -36.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.349 -0.845 . . . . 10.0 110.295 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.56 ' HA ' HD12 ' A' ' 12' ' ' ILE . 4.3 t-105 -55.24 -50.74 68.68 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.42 -0.8 . . . . 10.0 110.465 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -60.95 -42.73 98.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.407 -0.808 . . . . 10.0 109.448 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -59.36 -41.15 88.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.678 -0.639 . . . . 10.0 109.755 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 9' ' ' TRP . 38.5 mt -61.51 -34.64 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.47 -0.769 . . . . 10.0 109.645 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -70.03 -39.91 75.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 10.0 110.073 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -36.98 83.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.452 -0.78 . . . . 10.0 110.198 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 64.6 t -66.66 -30.5 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.631 -0.668 . . . . 10.0 109.614 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.86 -46.23 37.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 10.0 110.182 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -66.66 -40.45 88.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.372 -0.83 . . . . 10.0 109.791 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.9 -31.97 68.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.652 -0.655 . . . . 10.0 109.889 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -51.3 -45.3 62.13 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.769 . . . . 10.0 110.195 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -47.67 78.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.601 -0.687 . . . . 10.0 110.784 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 p -68.87 -36.4 78.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.208 -0.933 . . . . 10.0 109.944 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -58.38 -49.13 78.34 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.514 -0.741 . . . . 10.0 109.13 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.86 -33.41 73.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.866 -0.521 . . . . 10.0 110.204 179.247 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 1.7 tttt -70.25 -16.49 63.04 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.101 -0.999 . . . . 10.0 110.594 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.1 -31.78 9.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.297 -0.877 . . . . 10.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -37.2 6.16 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.213 -0.929 . . . . 10.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -80.83 -34.2 34.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.125 -0.984 . . . . 10.0 111.032 -179.494 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.489 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -55.48 -52.39 72.19 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.413 -0.805 . . . . 10.0 111.13 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 28' ' ' MET . 45.0 Cg_endo -72.84 -178.1 3.27 Favored 'Trans proline' 0 N--CA 1.486 1.072 0 O-C-N 123.392 1.206 . . . . 10.0 110.932 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -129.42 40.49 3.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.486 -0.759 . . . . 10.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 118.169 -0.919 . . . . 10.0 110.261 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.034 0.445 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.68 78.12 0.24 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.562 -1.415 . . . . 10.0 109.562 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.13 43.67 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.5 -1.0 . . . . 10.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.405 ' CE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -111.47 -25.85 9.39 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.397 -0.815 . . . . 10.0 110.596 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.91 -42.64 98.46 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.381 -0.825 . . . . 10.0 110.359 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -61.38 -38.56 87.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.375 -0.828 . . . . 10.0 110.16 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.16 -39.55 93.1 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.57 -0.706 . . . . 10.0 110.607 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.405 HD11 ' CE3' ' A' ' 4' ' ' TRP . 83.6 mt -82.74 -46.65 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.325 -0.859 . . . . 10.0 110.78 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.428 ' HA ' HD12 ' A' ' 12' ' ' ILE . 30.4 t-105 -60.77 -40.25 91.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.24 -0.912 . . . . 10.0 110.672 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.0 -45.04 96.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 10.0 110.025 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.33 -37.2 84.81 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.535 -0.728 . . . . 10.0 110.158 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 9' ' ' TRP . 39.0 mt -59.11 -38.48 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.37 -0.831 . . . . 10.0 109.286 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.06 -37.06 66.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.566 -0.709 . . . . 10.0 109.524 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.32 -41.86 98.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.662 -0.649 . . . . 10.0 109.966 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.1 -35.49 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.646 -0.659 . . . . 10.0 109.734 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -58.43 -50.99 71.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.541 -0.724 . . . . 10.0 110.312 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -63.36 -39.1 93.62 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 10.0 109.464 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -43.38 87.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.654 -0.654 . . . . 10.0 109.404 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.93 -37.43 63.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.535 -0.728 . . . . 10.0 109.799 179.138 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -33.7 76.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 10.0 110.263 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.37 -41.97 10.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.242 -0.911 . . . . 10.0 109.94 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.53 -48.71 76.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.694 -0.629 . . . . 10.0 109.815 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.0 mm? -64.62 -39.05 93.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.742 -0.599 . . . . 10.0 109.958 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.91 -37.05 83.63 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.48 -0.762 . . . . 10.0 109.883 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -31.97 65.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.576 -0.703 . . . . 10.0 110.434 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -64.82 -35.64 81.76 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.386 -0.821 . . . . 10.0 110.483 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -97.58 -178.52 4.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.338 -0.851 . . . . 10.0 110.184 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.439 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER 68.64 145.19 0.1 Allowed Pre-proline 0 N--CA 1.504 2.228 0 O-C-N 121.934 -0.479 . . . . 10.0 111.004 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -76.21 -169.25 0.66 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 O-C-N 123.622 1.327 . . . . 10.0 110.714 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -42.03 92.32 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.474 -0.766 . . . . 10.0 110.253 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.157 179.798 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.036 0.446 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.28 -177.74 53.3 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.99 -1.244 . . . . 10.0 109.99 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.5 12.16 13.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.332 -1.099 . . . . 10.0 111.044 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -137.81 41.82 2.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.152 -0.967 . . . . 10.0 110.064 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.685 ' HA ' HG22 ' A' ' 8' ' ' ILE . 16.7 tp -97.35 -33.53 11.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.359 -0.838 . . . . 10.0 110.437 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.26 66.67 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.326 -0.859 . . . . 10.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -98.84 -34.19 10.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 10.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.685 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.2 tt -72.68 -26.75 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.172 -0.955 . . . . 10.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -59.64 -50.3 74.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.167 -0.958 . . . . 10.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.52 -38.45 90.01 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.562 -0.711 . . . . 10.0 109.45 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -68.77 -40.43 79.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.575 -0.703 . . . . 10.0 109.707 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mt -57.04 -38.43 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.575 -0.703 . . . . 10.0 109.216 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.07 -37.41 75.48 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.604 -0.685 . . . . 10.0 109.55 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.11 -46.09 88.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.429 -0.794 . . . . 10.0 109.723 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.79 -27.97 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.768 -0.582 . . . . 10.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.33 92.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.368 -0.832 . . . . 10.0 110.081 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.5 t -69.4 -40.24 77.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.32 -0.862 . . . . 10.0 109.818 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.14 -34.7 68.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.583 -0.698 . . . . 10.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -43.96 14.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.374 -0.829 . . . . 10.0 110.801 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -66.77 -42.74 85.58 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.6 -0.688 . . . . 10.0 110.157 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -75.38 -41.61 55.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.345 -0.847 . . . . 10.0 110.094 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -56.14 -49.47 73.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 10.0 109.8 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.26 -38.86 92.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.866 -0.521 . . . . 10.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -72.25 -42.33 65.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.302 -0.874 . . . . 10.0 110.161 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.53 71.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.504 -0.748 . . . . 10.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -91.71 -47.9 7.11 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.279 -0.888 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.12 88.83 7.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.425 -0.797 . . . . 10.0 110.207 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 mmm -123.65 102.3 35.75 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.76 -0.588 . . . . 10.0 109.958 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -72.96 173.72 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 O-C-N 123.765 1.403 . . . . 10.0 111.164 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.41 166.41 10.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.687 -0.633 . . . . 10.0 110.261 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.828 -1.082 . . . . 10.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.923 0.392 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.75 -174.69 46.49 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.706 -1.358 . . . . 10.0 109.706 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -144.06 116.99 8.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -1.048 . . . . 10.0 110.056 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.537 ' CE3' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -123.29 28.2 7.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 10.0 110.725 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.19 -61.53 1.03 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.198 -0.939 . . . . 10.0 110.103 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -66.73 -48.36 69.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.504 -0.748 . . . . 10.0 110.001 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.66 -36.9 84.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.672 -0.642 . . . . 10.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.537 HG13 ' CE3' ' A' ' 4' ' ' TRP . 48.0 mm -71.28 -35.65 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.391 -0.818 . . . . 10.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -57.68 -52.97 63.25 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.365 -0.834 . . . . 10.0 110.263 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -32.71 69.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.414 -0.804 . . . . 10.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.18 -42.26 89.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.384 -0.823 . . . . 10.0 109.901 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.67 -37.19 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.488 -0.758 . . . . 10.0 109.477 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -70.71 -35.29 72.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.538 -0.726 . . . . 10.0 109.995 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -42.57 89.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.44 -0.787 . . . . 10.0 109.922 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.86 -34.11 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.095 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -49.16 78.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 10.0 109.758 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -37.12 70.63 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.385 -0.822 . . . . 10.0 109.527 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.05 -36.21 83.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.574 -0.704 . . . . 10.0 109.895 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -37.98 48.17 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 10.0 110.481 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -61.52 -36.05 79.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.269 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -90.81 -42.25 10.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.389 -0.819 . . . . 10.0 109.973 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -55.32 -46.69 76.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.751 -0.593 . . . . 10.0 110.209 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.9 mm? -65.78 -40.54 92.08 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.674 -0.641 . . . . 10.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -70.1 -38.77 75.74 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.382 -0.824 . . . . 10.0 109.939 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.26 66.78 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.637 -0.664 . . . . 10.0 110.897 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -98.12 -24.86 15.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.266 -0.896 . . . . 10.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' HA ' HD11 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.43 -32.08 69.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.242 -0.911 . . . . 10.0 110.761 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.416 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -64.92 -56.36 21.53 Favored Pre-proline 0 N--CA 1.5 2.062 0 O-C-N 121.441 -0.787 . . . . 10.0 111.022 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 28' ' ' MET . 47.3 Cg_endo -73.32 -169.8 0.57 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 O-C-N 123.532 1.28 . . . . 10.0 111.228 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 132.09 46.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.477 -0.764 . . . . 10.0 110.0 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 27' ' ' LEU . 2.8 mp . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 118.338 -0.839 . . . . 10.0 110.788 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.094 0.474 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.78 115.06 3.32 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.643 -1.383 . . . . 10.0 109.643 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -141.66 169.69 17.12 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.491 -1.005 . . . . 10.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -34.01 75.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 10.0 110.603 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.76 -42.41 88.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.341 -0.849 . . . . 10.0 109.858 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -36.68 83.39 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.393 -0.817 . . . . 10.0 109.367 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.07 -37.08 76.23 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.646 -0.659 . . . . 10.0 109.94 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.45 -40.82 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.442 -0.786 . . . . 10.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.517 ' HA ' HD12 ' A' ' 12' ' ' ILE . 30.3 t-105 -56.74 -42.2 78.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.509 -0.744 . . . . 10.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.94 -45.35 90.66 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.37 -0.831 . . . . 10.0 109.689 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -68.64 -38.54 80.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.604 -0.685 . . . . 10.0 109.914 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 9' ' ' TRP . 37.8 mt -57.07 -38.75 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.396 -0.815 . . . . 10.0 109.152 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -70.03 -37.03 75.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 10.0 109.333 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -36.64 78.74 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.671 -0.643 . . . . 10.0 109.722 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.53 -33.97 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.612 -0.68 . . . . 10.0 109.827 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -44.06 83.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.665 -0.647 . . . . 10.0 110.683 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -61.59 -44.28 97.31 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.466 -0.771 . . . . 10.0 109.723 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.89 -38.0 82.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.582 -0.699 . . . . 10.0 109.482 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -40.77 69.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.652 -0.655 . . . . 10.0 109.266 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -61.69 -45.51 93.66 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -67.86 -38.83 83.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.424 -0.798 . . . . 10.0 109.597 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -56.13 -48.42 76.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.603 -0.685 . . . . 10.0 109.658 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.68 -41.37 94.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.812 -0.555 . . . . 10.0 110.136 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -68.96 -38.26 79.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.429 -0.794 . . . . 10.0 109.764 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.34 90.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.599 -0.688 . . . . 10.0 109.998 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -71.04 -30.19 66.3 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.444 -0.785 . . . . 10.0 110.403 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -27.13 67.57 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.508 -0.745 . . . . 10.0 110.594 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 ttt -62.68 127.78 90.8 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.368 -0.833 . . . . 10.0 110.227 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -73.43 -173.57 1.35 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 O-C-N 123.88 1.463 . . . . 10.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -83.26 94.12 7.84 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.564 -0.71 . . . . 10.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.373 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.089 0.471 . . . . 10.0 110.485 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.27 -115.18 0.55 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.593 -1.403 . . . . 10.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -108.71 57.04 0.61 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.458 -1.025 . . . . 10.0 110.126 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.96 55.73 2.87 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.283 -0.886 . . . . 10.0 110.422 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.87 -43.14 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.862 . . . . 10.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -37.33 67.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.453 -0.78 . . . . 10.0 110.68 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.18 -43.22 92.16 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.443 -0.786 . . . . 10.0 110.258 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.54 -29.43 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.37 -0.831 . . . . 10.0 110.049 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.632 ' HA ' HD12 ' A' ' 12' ' ' ILE . 27.8 t-105 -54.25 -46.42 72.59 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.544 -0.722 . . . . 10.0 110.504 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.03 -44.66 96.23 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.432 -0.792 . . . . 10.0 109.758 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -58.87 -40.55 84.69 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.46 -0.775 . . . . 10.0 109.807 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 9' ' ' TRP . 44.4 mt -60.2 -38.69 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.481 -0.762 . . . . 10.0 109.277 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.1 t -68.62 -34.56 75.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.581 -0.699 . . . . 10.0 109.738 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.01 -40.95 87.4 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.581 -0.699 . . . . 10.0 110.043 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t -66.47 -33.95 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.581 -0.699 . . . . 10.0 109.722 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -46.92 88.15 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.489 -0.757 . . . . 10.0 109.758 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -74.57 -36.11 63.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 10.0 109.446 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.17 -33.29 75.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.716 -0.615 . . . . 10.0 110.308 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -42.57 26.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.502 -0.749 . . . . 10.0 110.46 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -39.2 89.4 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.64 -0.663 . . . . 10.0 110.196 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.94 -36.35 41.8 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 10.0 109.867 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -54.11 -50.84 65.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.626 -0.671 . . . . 10.0 109.537 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.75 -38.9 87.53 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.815 -0.553 . . . . 10.0 110.19 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -39.82 94.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 10.0 110.088 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.89 -22.87 49.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.443 -0.786 . . . . 10.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -78.77 -41.87 29.44 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.186 -0.946 . . . . 10.0 110.742 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.78 128.49 34.91 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 10.0 110.476 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.484 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -167.56 -61.65 0.01 OUTLIER Pre-proline 0 N--CA 1.499 1.984 0 O-C-N 121.606 -0.684 . . . . 10.0 110.556 179.75 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 46.0 Cg_endo -73.37 -93.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.081 0 O-C-N 123.387 1.204 . . . . 10.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 53.46 75.3 0.26 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.436 -0.79 . . . . 10.0 110.562 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 118.449 -0.786 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.829 0.347 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.11 -55.51 3.09 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.693 -1.363 . . . . 10.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -134.17 -162.63 1.27 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.51 -0.994 . . . . 10.0 110.297 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.85 -46.27 3.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.403 -0.81 . . . . 10.0 110.292 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.34 -51.38 6.61 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.406 -0.809 . . . . 10.0 110.693 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -63.39 -37.34 86.91 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.373 -0.829 . . . . 10.0 110.719 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.24 93.47 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.38 -0.825 . . . . 10.0 110.204 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.55 -45.1 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.388 -0.82 . . . . 10.0 109.904 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -60.5 -46.46 90.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.526 -0.734 . . . . 10.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.81 -41.69 98.08 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.504 -0.748 . . . . 10.0 109.95 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -63.48 -40.4 97.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.377 -0.827 . . . . 10.0 110.101 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.9 mt -60.16 -35.26 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.421 -0.8 . . . . 10.0 109.13 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.91 -41.42 71.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.602 -0.686 . . . . 10.0 109.791 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.15 -38.77 86.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.476 -0.765 . . . . 10.0 109.737 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.13 -31.79 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.661 -0.65 . . . . 10.0 109.679 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.04 -43.97 97.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.349 -0.844 . . . . 10.0 109.892 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -78.0 -39.93 40.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 10.0 109.688 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.54 -25.71 66.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.527 -0.733 . . . . 10.0 110.357 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -36.19 63.01 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.344 -0.848 . . . . 10.0 110.101 179.359 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -67.14 -36.13 81.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.48 -0.762 . . . . 10.0 110.366 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -89.21 -41.95 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.256 -0.902 . . . . 10.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -57.8 -48.02 80.92 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.489 -0.757 . . . . 10.0 110.089 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.7 mm? -61.1 -41.92 97.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.685 -0.634 . . . . 10.0 110.387 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -73.6 -34.22 64.96 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.26 -0.9 . . . . 10.0 110.099 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -24.97 65.0 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.562 -0.711 . . . . 10.0 110.737 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.63 -27.51 12.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.3 -0.875 . . . . 10.0 110.667 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -38.53 65.6 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.245 -0.909 . . . . 10.0 110.481 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.463 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 33.7 mtp -57.1 -54.35 55.57 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.583 -0.698 . . . . 10.0 111.047 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 28' ' ' MET . 45.2 Cg_endo -72.78 -170.03 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 O-C-N 123.531 1.28 . . . . 10.0 111.041 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.46 -170.66 2.81 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 10.0 110.485 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.076 179.797 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.143 0.497 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.45 85.84 1.24 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.356 -1.498 . . . . 10.0 109.356 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 129.12 51.43 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.537 -0.978 . . . . 10.0 110.457 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' HE3' HD11 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -77.4 -10.52 59.51 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.528 -0.732 . . . . 10.0 110.684 179.489 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -58.9 -29.25 66.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.319 -0.863 . . . . 10.0 110.631 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.57 84.78 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.395 -0.816 . . . . 10.0 110.14 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.84 -44.23 90.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.499 -0.75 . . . . 10.0 109.521 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 5' ' ' LEU . 17.0 mt -59.54 -43.36 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.579 -0.701 . . . . 10.0 109.267 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -64.06 -35.91 82.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.683 -0.636 . . . . 10.0 109.727 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.84 -44.8 96.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.665 -0.647 . . . . 10.0 109.89 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.54 -39.87 85.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.584 -0.698 . . . . 10.0 109.675 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.44 -36.77 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.556 -0.715 . . . . 10.0 109.191 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 t -69.72 -35.07 74.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.585 -0.697 . . . . 10.0 109.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.63 -42.81 99.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.441 -0.787 . . . . 10.0 109.602 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.22 -28.74 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.703 -0.623 . . . . 10.0 109.871 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.89 -37.74 80.25 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.576 -0.703 . . . . 10.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.67 87.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.337 -0.852 . . . . 10.0 109.354 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.45 -32.98 70.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.629 -0.669 . . . . 10.0 109.464 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 t80 -49.89 -40.59 43.46 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.535 -0.728 . . . . 10.0 109.793 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.97 -45.1 75.11 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.659 -0.65 . . . . 10.0 110.131 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 4.9 m -72.54 -44.16 62.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.514 -0.741 . . . . 10.0 110.517 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.34 96.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.292 -0.88 . . . . 10.0 109.914 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.7 mm? -66.83 -37.48 84.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.671 -0.643 . . . . 10.0 111.067 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -70.84 -25.35 62.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.05 -1.031 . . . . 10.0 110.553 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . -80.71 -32.7 35.75 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.215 -0.928 . . . . 10.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -84.59 -8.53 58.87 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.479 -0.763 . . . . 10.0 111.241 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -49.21 8.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.163 -0.961 . . . . 10.0 110.645 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.6 mtt -88.27 116.05 65.07 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.538 -0.726 . . . . 10.0 110.394 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.66 -169.28 0.64 Allowed 'Trans proline' 0 C--N 1.315 -1.194 0 O-C-N 123.734 1.386 . . . . 10.0 110.778 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.47 52.01 1.86 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 10.0 110.177 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 117.792 -1.099 . . . . 10.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.919 0.39 . . . . 10.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.59 60.33 0.66 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.422 -1.471 . . . . 10.0 109.422 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -164.99 170.98 14.55 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.551 -0.97 . . . . 10.0 110.415 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.78 -50.76 3.33 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.755 . . . . 10.0 109.935 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.79 -46.67 11.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.39 -0.819 . . . . 10.0 109.972 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -56.94 -39.67 74.98 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.44 -0.787 . . . . 10.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.9 -47.95 81.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.608 -0.682 . . . . 10.0 110.146 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.74 -31.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.442 -0.786 . . . . 10.0 110.071 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.616 ' HA ' HD12 ' A' ' 12' ' ' ILE . 4.1 m95 -57.48 -36.34 71.35 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.384 -0.822 . . . . 10.0 110.061 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -44.05 97.75 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.568 -0.708 . . . . 10.0 109.5 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -66.85 -38.81 87.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.581 -0.699 . . . . 10.0 109.78 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 9' ' ' TRP . 66.0 mt -60.79 -35.3 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.338 -0.851 . . . . 10.0 109.385 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -70.85 -37.7 73.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 10.0 109.981 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -35.25 77.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.421 -0.799 . . . . 10.0 109.932 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.15 -34.66 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 10.0 109.735 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -42.53 86.33 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.668 -0.645 . . . . 10.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 p -62.05 -44.96 95.56 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.312 -0.867 . . . . 10.0 109.953 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.3 -40.71 90.19 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.628 -0.67 . . . . 10.0 109.667 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -36.92 75.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.56 -0.713 . . . . 10.0 109.548 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.74 95.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.74 -0.6 . . . . 10.0 109.881 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -70.11 -36.36 74.79 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 10.0 109.68 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -58.47 -48.45 80.74 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.606 -0.684 . . . . 10.0 109.484 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.23 -37.42 72.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.933 -0.48 . . . . 10.0 110.127 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -40.14 94.82 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.475 -0.766 . . . . 10.0 109.867 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 -33.42 59.64 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.508 -0.745 . . . . 10.0 110.055 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -73.26 -45.06 58.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.403 -0.811 . . . . 10.0 110.432 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -108.15 119.43 39.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.387 -0.821 . . . . 10.0 110.384 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.8 100.94 6.54 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.698 -0.626 . . . . 10.0 109.891 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.09 177.51 7.7 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.73 1.384 . . . . 10.0 111.379 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.01 143.51 31.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.631 -0.668 . . . . 10.0 110.283 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 118.241 -0.885 . . . . 10.0 110.581 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.958 0.409 . . . . 10.0 110.404 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.73 -92.25 1.5 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.33 -1.508 . . . . 10.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.64 83.87 7.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.532 -0.981 . . . . 10.0 109.831 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.536 ' CE2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -107.94 -160.72 0.74 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.354 -0.841 . . . . 10.0 110.029 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt 69.78 -63.78 0.37 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.81 -0.556 . . . . 10.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -42.98 86.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.189 -0.944 . . . . 10.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.09 -42.6 99.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.507 -0.746 . . . . 10.0 109.998 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.536 HD11 ' CE2' ' A' ' 4' ' ' TRP . 2.0 mp -74.2 -33.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.511 -0.743 . . . . 10.0 110.043 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.561 ' HA ' HD12 ' A' ' 12' ' ' ILE . 10.7 t-105 -53.89 -52.41 60.59 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.409 -0.807 . . . . 10.0 110.233 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.53 -41.03 98.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.499 -0.751 . . . . 10.0 109.384 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.14 -40.55 85.87 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.684 -0.635 . . . . 10.0 109.842 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 9' ' ' TRP . 33.2 mt -61.17 -37.58 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.545 -0.722 . . . . 10.0 109.425 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.22 -39.07 86.22 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.629 -0.67 . . . . 10.0 109.975 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -39.12 87.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.528 -0.733 . . . . 10.0 110.234 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.08 -33.87 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.682 -0.636 . . . . 10.0 109.841 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.78 -42.85 81.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.438 -0.789 . . . . 10.0 110.227 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -75.02 -41.11 59.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.498 -0.751 . . . . 10.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.43 -24.55 62.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.395 -0.816 . . . . 10.0 110.542 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.09 44.61 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.226 -0.921 . . . . 10.0 110.178 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.33 -47.96 68.98 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.604 -0.685 . . . . 10.0 110.205 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 p -72.79 -36.39 67.6 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.32 -0.863 . . . . 10.0 110.409 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' HE3' HD12 ' A' ' 23' ' ' LEU . 73.2 t90 -55.72 -51.89 65.79 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.715 . . . . 10.0 109.613 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' HE3' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -60.49 -40.31 90.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.814 -0.554 . . . . 10.0 110.454 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -69.37 -39.88 77.77 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.271 -0.893 . . . . 10.0 109.988 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.86 68.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.547 -0.721 . . . . 10.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -70.45 -35.44 73.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.447 -0.783 . . . . 10.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.27 -36.0 81.84 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.241 -0.912 . . . . 10.0 110.317 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.83 154.09 70.35 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.517 -0.739 . . . . 10.0 110.156 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -74.32 -172.74 1.24 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.863 1.454 . . . . 10.0 110.956 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 153.27 42.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.497 -0.752 . . . . 10.0 110.401 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.303 -0.855 . . . . 10.0 110.446 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 120.908 0.385 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.45 129.81 10.03 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -114.83 112.01 22.1 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.471 -1.017 . . . . 10.0 110.188 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' CE3' HD11 ' A' ' 8' ' ' ILE . 18.4 t90 -71.01 -31.27 67.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.439 -0.788 . . . . 10.0 110.372 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.744 ' HA ' HD12 ' A' ' 8' ' ' ILE . 12.9 mt -57.17 -39.55 75.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.427 -0.796 . . . . 10.0 109.968 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.99 71.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.673 -0.642 . . . . 10.0 109.74 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.31 -38.09 36.1 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.778 -0.576 . . . . 10.0 109.785 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 5' ' ' LEU . 62.8 mt -56.27 -40.13 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.562 -0.712 . . . . 10.0 110.367 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.409 ' HA ' HD12 ' A' ' 12' ' ' ILE . 43.6 t-105 -61.2 -38.65 87.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 10.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.574 -0.704 . . . . 10.0 109.761 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.13 -39.67 90.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.534 -0.728 . . . . 10.0 109.81 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 9' ' ' TRP . 57.4 mt -59.32 -37.67 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.459 -0.776 . . . . 10.0 109.09 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.9 t -68.26 -35.51 78.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.623 -0.673 . . . . 10.0 109.428 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -49.39 77.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.667 -0.646 . . . . 10.0 109.842 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.63 -36.67 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.785 -0.572 . . . . 10.0 110.022 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.27 -41.52 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.494 -0.754 . . . . 10.0 109.917 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -40.58 98.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.453 -0.78 . . . . 10.0 109.786 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.48 -33.06 74.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 10.0 109.894 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -34.14 24.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.389 -0.819 . . . . 10.0 109.846 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.57 75.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.631 -0.668 . . . . 10.0 109.521 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -77.8 -33.09 52.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.479 -0.763 . . . . 10.0 110.176 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -57.37 -49.82 74.93 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.517 -0.74 . . . . 10.0 109.489 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -41.08 97.13 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.741 -0.599 . . . . 10.0 109.89 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -67.92 -34.72 77.16 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.567 -0.708 . . . . 10.0 109.922 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.64 68.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.599 -0.688 . . . . 10.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -40.62 95.94 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.374 -0.828 . . . . 10.0 110.198 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -165.97 1.32 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.471 -0.768 . . . . 10.0 109.884 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.94 98.56 0.04 OUTLIER Pre-proline 0 N--CA 1.503 2.175 0 O-C-N 121.65 -0.656 . . . . 10.0 110.764 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -74.59 -173.52 1.53 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.83 1.437 . . . . 10.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.05 141.72 58.65 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.511 -0.743 . . . . 10.0 110.627 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 118.308 -0.853 . . . . 10.0 110.525 -179.812 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.047 0.451 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.38 141.83 10.66 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.748 -1.341 . . . . 10.0 109.748 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -138.65 118.46 13.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.442 -1.034 . . . . 10.0 110.283 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -33.93 57.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.63 -0.669 . . . . 10.0 110.096 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -54.94 -31.64 60.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.574 -0.704 . . . . 10.0 110.837 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -40.2 65.1 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.391 -0.818 . . . . 10.0 110.326 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.77 -43.24 63.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.763 . . . . 10.0 109.802 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 5' ' ' LEU . 6.9 mt -67.56 -31.1 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.494 -0.754 . . . . 10.0 110.064 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.618 ' HA ' HD12 ' A' ' 12' ' ' ILE . 4.2 m95 -56.02 -40.1 72.93 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.413 -0.804 . . . . 10.0 110.16 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.56 -46.01 91.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.441 -0.787 . . . . 10.0 109.343 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -66.44 -38.7 87.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.605 -0.684 . . . . 10.0 109.71 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 9' ' ' TRP . 40.8 mt -57.13 -39.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.351 -0.843 . . . . 10.0 109.319 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -69.87 -35.11 74.42 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.634 -0.666 . . . . 10.0 109.442 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.25 -34.24 76.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.53 -0.731 . . . . 10.0 110.018 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.6 -28.71 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.685 -0.635 . . . . 10.0 109.945 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -44.22 95.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.803 . . . . 10.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 p -58.07 -40.72 81.73 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 109.927 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.13 -37.84 53.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.536 -0.728 . . . . 10.0 109.603 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -48.78 12.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.748 -0.595 . . . . 10.0 110.579 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -63.71 -43.56 96.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.551 -0.718 . . . . 10.0 110.412 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 m -70.87 -38.18 73.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.326 -0.859 . . . . 10.0 109.955 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -54.47 -48.24 72.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.62 -0.675 . . . . 10.0 109.861 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -43.86 90.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.781 -0.574 . . . . 10.0 110.421 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -40.05 84.69 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.492 -0.755 . . . . 10.0 110.239 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -26.82 67.33 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.537 -0.727 . . . . 10.0 110.552 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.324 -0.86 . . . . 10.0 110.703 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.59 125.34 22.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.676 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.64 74.52 6.48 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 10.0 110.073 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.78 -170.81 0.9 Allowed 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.799 1.421 . . . . 10.0 111.071 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.88 -33.71 68.59 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 10.0 110.481 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.297 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.087 0.47 . . . . 10.0 110.384 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.9 151.1 7.2 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.775 -1.33 . . . . 10.0 109.775 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -86.06 171.62 11.24 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.46 -1.023 . . . . 10.0 110.318 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.99 -59.1 1.94 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.4 -0.813 . . . . 10.0 110.26 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.22 -54.63 26.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.359 -0.838 . . . . 10.0 110.034 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -59.63 -35.4 74.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.675 -0.64 . . . . 10.0 110.128 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -43.46 98.77 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.72 -50.92 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.407 -0.808 . . . . 10.0 110.232 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -60.34 -46.99 87.97 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.439 -0.788 . . . . 10.0 110.458 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.58 -43.42 97.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.588 -0.695 . . . . 10.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.19 -39.0 91.28 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.315 -0.866 . . . . 10.0 110.185 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -60.1 -37.66 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.322 -0.861 . . . . 10.0 109.145 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.3 t -70.64 -34.16 71.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.622 -0.674 . . . . 10.0 109.873 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.62 -42.32 74.52 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -0.827 . . . . 10.0 110.035 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -62.64 -36.81 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.718 -0.614 . . . . 10.0 110.119 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.96 -48.08 72.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 10.0 110.306 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.65 83.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.31 -0.869 . . . . 10.0 110.083 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -35.52 78.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.558 -0.714 . . . . 10.0 110.141 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -48.61 41.21 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.533 -0.729 . . . . 10.0 110.381 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -63.53 -44.82 93.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 10.0 110.356 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 m -70.17 -37.78 75.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.407 -0.808 . . . . 10.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -54.91 -50.18 69.43 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.719 . . . . 10.0 109.607 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.7 mp -64.86 -41.67 95.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.815 -0.553 . . . . 10.0 110.33 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -66.55 -45.24 80.06 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.39 -0.819 . . . . 10.0 110.345 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.72 73.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.402 -0.811 . . . . 10.0 110.545 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -44.28 90.57 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.395 -0.816 . . . . 10.0 110.558 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 23' ' ' LEU . 1.8 pp -93.24 -24.88 18.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.443 -0.786 . . . . 10.0 110.506 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -138.2 79.53 31.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.313 -0.867 . . . . 10.0 109.966 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.91 179.3 4.94 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.755 1.397 . . . . 10.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -147.19 50.16 1.1 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.687 -0.633 . . . . 10.0 110.453 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 118.192 -0.909 . . . . 10.0 110.249 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.115 0.483 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.98 155.94 48.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.75 -1.34 . . . . 10.0 109.75 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -102.77 113.86 27.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.477 -1.013 . . . . 10.0 110.268 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.44 ' CE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -118.96 -61.89 1.59 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.424 -0.797 . . . . 10.0 110.128 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt -58.07 -40.35 80.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.447 -0.783 . . . . 10.0 110.241 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -38.44 75.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.483 -0.761 . . . . 10.0 109.698 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -58.89 -41.15 86.46 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.613 -0.679 . . . . 10.0 110.017 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD11 ' CE3' ' A' ' 4' ' ' TRP . 22.0 mt -70.64 -37.47 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.496 -0.752 . . . . 10.0 109.941 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.614 ' HA ' HD12 ' A' ' 12' ' ' ILE . 36.5 t-105 -54.98 -40.2 69.81 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.587 -0.695 . . . . 10.0 110.504 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.63 -45.47 93.92 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 10.0 109.845 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -65.84 -37.99 87.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.568 -0.708 . . . . 10.0 109.987 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 9' ' ' TRP . 46.5 mt -59.69 -36.97 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 10.0 109.379 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -73.11 -34.53 66.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.591 -0.693 . . . . 10.0 109.66 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -44.6 91.76 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.492 -0.755 . . . . 10.0 109.833 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.719 -0.613 . . . . 10.0 109.657 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 10.0 109.42 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -67.91 -38.15 82.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.597 -0.689 . . . . 10.0 109.145 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.05 -42.28 89.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 10.0 109.737 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.15 -47.66 23.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.779 -0.576 . . . . 10.0 110.137 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.27 -46.58 86.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.582 -0.699 . . . . 10.0 109.993 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.79 -35.49 77.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.534 -0.729 . . . . 10.0 110.146 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -56.7 -47.48 79.82 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.646 -0.659 . . . . 10.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.94 -44.21 96.7 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.912 -0.492 . . . . 10.0 110.015 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -66.54 -41.3 88.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.8 . . . . 10.0 109.999 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.35 -29.46 68.19 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.529 -0.732 . . . . 10.0 110.359 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.14 62.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.346 -0.846 . . . . 10.0 110.687 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tp -154.48 117.16 4.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.354 -0.841 . . . . 10.0 110.638 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.658 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -178.69 -57.36 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 121.834 -0.541 . . . . 10.0 110.504 179.542 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 46.5 Cg_endo -72.67 -175.34 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 O-C-N 123.382 1.201 . . . . 10.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -88.84 92.38 9.19 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.58 -0.7 . . . . 10.0 109.974 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 118.3 -0.857 . . . . 10.0 110.316 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 120.791 0.329 . . . . 10.0 110.576 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.11 -122.32 0.72 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.884 -1.286 . . . . 10.0 109.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -60.35 -34.99 74.64 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.62 -0.93 . . . . 10.0 110.778 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.471 ' CZ3' HD13 ' A' ' 8' ' ' ILE . 25.5 t90 -56.33 -47.07 79.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.549 -0.719 . . . . 10.0 110.147 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -81.09 -33.61 33.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.577 -0.702 . . . . 10.0 110.371 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.25 80.75 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.267 -0.896 . . . . 10.0 110.407 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -68.74 -36.21 78.09 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.383 -0.823 . . . . 10.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.471 HD13 ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -64.84 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 110.74 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -53.52 39.0 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.318 -0.864 . . . . 10.0 110.194 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.03 -40.32 88.95 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.506 -0.746 . . . . 10.0 109.718 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -66.28 -38.94 88.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.425 -0.797 . . . . 10.0 109.756 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mt -60.69 -38.43 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.486 -0.759 . . . . 10.0 109.129 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.06 -36.27 77.48 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.526 -0.734 . . . . 10.0 109.612 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.9 -44.39 89.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 10.0 109.9 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 94.5 t -62.36 -36.24 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.756 -0.59 . . . . 10.0 109.872 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.12 -33.84 75.22 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.449 -0.782 . . . . 10.0 110.411 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.2 -36.39 13.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.37 -0.831 . . . . 10.0 110.094 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.17 -31.78 70.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.27 -0.894 . . . . 10.0 110.502 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -49.72 -44.58 48.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.447 -0.783 . . . . 10.0 109.98 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -61.98 -44.84 95.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.922 -0.486 . . . . 10.0 110.052 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -71.34 -40.2 70.85 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.436 -0.79 . . . . 10.0 109.994 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -56.33 -46.99 79.66 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.512 -0.743 . . . . 10.0 109.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -40.03 87.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.738 -0.601 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -70.87 -44.25 66.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.901 . . . . 10.0 110.172 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.5 94.87 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.596 -0.69 . . . . 10.0 110.284 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -62.7 -37.01 84.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.381 -0.825 . . . . 10.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tt -75.28 -32.22 60.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.502 -0.748 . . . . 10.0 110.46 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.9 mtm -85.7 117.09 68.09 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.463 -0.773 . . . . 10.0 110.562 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.79 -177.02 3.3 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 O-C-N 123.793 1.417 . . . . 10.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 50.82 47.38 24.69 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.819 -0.55 . . . . 10.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.5 2.037 0 CA-C-O 118.712 -0.661 . . . . 10.0 110.39 -179.98 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.894 0.378 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.5 76.59 1.34 Allowed Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.591 -1.404 . . . . 10.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -110.22 51.88 0.75 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.407 -1.055 . . . . 10.0 110.202 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -110.82 38.11 2.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.361 -0.837 . . . . 10.0 110.509 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.07 -45.99 2.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.256 -0.903 . . . . 10.0 110.43 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -38.84 85.78 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.488 -0.757 . . . . 10.0 110.527 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.36 -29.29 67.98 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.435 -0.791 . . . . 10.0 110.741 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.9 mt -77.76 -42.7 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.234 -0.916 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.48 ' HA ' HD12 ' A' ' 12' ' ' ILE . 68.3 t-105 -55.9 -54.21 47.43 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.443 -0.786 . . . . 10.0 110.747 -179.611 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.54 -39.61 84.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.462 -0.774 . . . . 10.0 110.158 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -60.51 -42.51 96.56 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.424 -0.797 . . . . 10.0 109.917 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 9' ' ' TRP . 46.0 mt -58.72 -37.56 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.514 -0.741 . . . . 10.0 109.375 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.3 t -69.7 -39.33 76.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 10.0 109.876 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -40.38 92.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.533 -0.73 . . . . 10.0 110.166 179.517 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.59 -37.15 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.714 -0.616 . . . . 10.0 109.709 179.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.19 98.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.461 -0.775 . . . . 10.0 109.655 179.265 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -76.05 -39.95 54.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.452 -0.78 . . . . 10.0 109.649 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.96 -29.98 69.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.604 -0.685 . . . . 10.0 110.535 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -39.83 32.14 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.34 -0.85 . . . . 10.0 110.196 179.497 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -45.91 77.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.595 -0.69 . . . . 10.0 110.455 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 p -75.69 -42.52 50.81 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 10.0 110.258 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -54.5 -54.11 45.42 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.699 -0.625 . . . . 10.0 109.9 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.06 -31.4 71.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.752 -0.593 . . . . 10.0 110.512 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -69.51 -33.7 73.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.158 -0.964 . . . . 10.0 109.955 179.324 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.86 -46.16 46.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.734 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.22 65.14 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.419 -0.8 . . . . 10.0 110.376 179.808 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.99 61.08 0.6 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.378 -0.826 . . . . 10.0 109.635 179.381 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.98 118.36 34.62 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.724 . . . . 10.0 110.142 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -74.27 -178.53 4.0 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.901 1.474 . . . . 10.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.9 39.22 4.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.655 -0.653 . . . . 10.0 110.168 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.1 mt . . . . . 0 N--CA 1.501 2.078 0 CA-C-O 117.817 -1.087 . . . . 10.0 110.505 -179.914 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 121.057 0.456 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.66 24.17 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.1 86.41 7.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.347 -1.09 . . . . 10.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.58 -41.99 5.11 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.436 -0.79 . . . . 10.0 110.667 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.17 -44.72 88.12 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.487 -0.758 . . . . 10.0 110.746 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -32.12 70.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.298 -0.876 . . . . 10.0 110.001 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.46 -37.76 63.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.592 -0.692 . . . . 10.0 109.828 179.239 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.5 mt -77.88 -30.31 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.393 -0.817 . . . . 10.0 110.519 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' HA ' HD12 ' A' ' 12' ' ' ILE . 16.9 t-105 -53.15 -48.02 68.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.397 -0.814 . . . . 10.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.8 -41.86 87.75 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.456 -0.778 . . . . 10.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -66.94 -38.46 86.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.471 -0.768 . . . . 10.0 109.702 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 9' ' ' TRP . 50.8 mt -59.18 -36.3 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.39 -0.819 . . . . 10.0 109.395 179.066 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -71.87 -37.71 70.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.619 -0.675 . . . . 10.0 109.998 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.69 91.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.804 . . . . 10.0 109.871 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -33.27 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 10.0 109.89 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -37.84 74.42 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.59 -0.694 . . . . 10.0 110.097 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -61.18 -45.97 92.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.598 -0.689 . . . . 10.0 109.492 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -43.02 74.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.649 -0.657 . . . . 10.0 109.258 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -40.42 60.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.816 -0.552 . . . . 10.0 109.966 179.422 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -57.72 -43.47 85.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.647 -0.658 . . . . 10.0 109.812 179.183 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 -37.94 34.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 179.104 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -56.34 -50.4 71.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.43 -34.46 78.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.831 -0.543 . . . . 10.0 110.409 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -34.26 77.38 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.288 -0.883 . . . . 10.0 110.116 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.81 -33.6 68.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.391 -0.818 . . . . 10.0 110.017 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -82.03 -50.23 9.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 10.0 110.49 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.675 HD11 HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -96.33 136.67 36.49 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.523 -0.736 . . . . 10.0 110.246 -179.728 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.621 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.5 ttm -167.88 -58.08 0.01 OUTLIER Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.625 -0.672 . . . . 10.0 111.157 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 44.5 Cg_endo -70.4 -167.71 0.26 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.145 1.076 . . . . 10.0 111.354 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.06 151.9 46.34 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.295 -0.878 . . . . 10.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 27' ' ' LEU . 3.7 mp . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.257 -0.878 . . . . 10.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 120.922 0.391 . . . . 10.0 110.286 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 3' ' ' SER . . . -150.1 -123.67 1.2 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.601 -1.4 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER 64.76 158.94 0.1 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.923 -0.751 . . . . 10.0 111.076 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.41 ' CZ3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -104.39 -39.77 6.33 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.354 -0.841 . . . . 10.0 110.609 -179.742 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.09 -36.3 74.88 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.436 -0.79 . . . . 10.0 110.384 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -57.03 -42.4 80.35 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.455 -0.778 . . . . 10.0 110.136 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.99 -37.56 88.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.505 -0.747 . . . . 10.0 110.148 179.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.41 HD11 ' CZ3' ' A' ' 4' ' ' TRP . 24.5 mm -74.7 -28.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.382 -0.824 . . . . 10.0 110.212 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.498 ' HA ' HD12 ' A' ' 12' ' ' ILE . 13.1 t-105 -54.62 -50.42 68.13 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.482 -0.761 . . . . 10.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.29 -40.98 98.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.402 -0.811 . . . . 10.0 109.601 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -60.28 -40.13 89.34 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.624 -0.673 . . . . 10.0 109.591 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 9' ' ' TRP . 41.7 mt -62.98 -37.54 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.503 -0.748 . . . . 10.0 109.285 178.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.24 -39.76 94.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.512 -0.742 . . . . 10.0 109.687 179.186 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -41.26 94.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.541 -0.724 . . . . 10.0 109.698 179.2 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.54 -35.51 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.76 -0.588 . . . . 10.0 109.551 179.083 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.83 -40.41 88.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 10.0 109.842 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -43.13 98.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.52 -0.737 . . . . 10.0 109.41 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.27 -37.64 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.64 -0.663 . . . . 10.0 109.461 178.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -41.81 35.55 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.669 -0.644 . . . . 10.0 110.271 179.603 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -42.92 98.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.187 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.67 -44.81 16.63 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.436 -0.79 . . . . 10.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -46.43 67.74 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.562 -0.711 . . . . 10.0 110.085 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 -43.61 98.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.725 -0.61 . . . . 10.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -70.1 -34.96 73.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -0.841 . . . . 10.0 109.817 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.97 -16.54 61.79 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.768 -0.582 . . . . 10.0 110.889 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -27.89 9.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.24 -0.913 . . . . 10.0 110.485 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.52 -39.59 22.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.32 -0.863 . . . . 10.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.442 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 2.9 mtp -58.3 -53.39 66.55 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.332 -0.855 . . . . 10.0 111.142 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 28' ' ' MET . 47.6 Cg_endo -75.13 -167.76 0.45 Allowed 'Trans proline' 0 N--CA 1.488 1.164 0 O-C-N 123.416 1.219 . . . . 10.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -124.45 163.39 21.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.54 -0.725 . . . . 10.0 110.177 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.339 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.007 0.432 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.06 147.66 18.53 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.04 90.97 7.09 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.518 -0.989 . . . . 10.0 110.09 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.604 ' O ' HD12 ' A' ' 8' ' ' ILE . 14.1 t90 -83.04 -40.95 19.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.42 -0.8 . . . . 10.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.31 -39.27 72.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.574 -0.704 . . . . 10.0 110.12 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -33.47 74.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.559 -0.713 . . . . 10.0 110.151 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.47 -38.14 89.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 10.0 110.165 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 4' ' ' TRP . 2.4 mp -85.09 -45.54 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.268 -0.895 . . . . 10.0 109.995 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -57.81 -41.54 82.39 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.596 -0.69 . . . . 10.0 110.68 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.88 -43.07 90.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.461 -0.774 . . . . 10.0 109.983 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 81.2 t90 -66.95 -39.99 87.41 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.551 -0.718 . . . . 10.0 109.932 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.96 -37.6 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 10.0 109.4 179.151 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 t -67.25 -42.18 84.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.592 -0.692 . . . . 10.0 109.911 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -44.84 86.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.404 -0.81 . . . . 10.0 109.171 179.065 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 74.8 t -64.1 -33.13 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 178.234 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -38.17 79.24 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.731 -0.606 . . . . 10.0 109.516 178.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -46.93 85.28 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.45 -41.77 84.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.609 -0.682 . . . . 10.0 109.412 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -42.01 64.6 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.681 -0.637 . . . . 10.0 109.997 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -59.3 -38.1 79.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.649 -0.657 . . . . 10.0 110.371 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -87.39 -39.57 15.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.323 -0.861 . . . . 10.0 110.088 179.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -57.75 -46.02 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.541 -0.724 . . . . 10.0 109.974 179.585 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.0 mm? -64.94 -41.11 95.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.705 -0.622 . . . . 10.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.4 -32.12 66.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.332 -0.855 . . . . 10.0 110.052 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.18 75.32 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.43 -0.794 . . . . 10.0 110.188 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -76.0 -34.5 59.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.383 -0.823 . . . . 10.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -86.51 -51.21 6.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.404 -0.81 . . . . 10.0 110.245 -179.718 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 37.2 mtt 50.06 61.47 13.56 Favored Pre-proline 0 N--CA 1.501 2.107 0 O-C-N 121.722 -0.611 . . . . 10.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 27' ' ' LEU . 45.7 Cg_endo -74.33 178.69 6.68 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 O-C-N 123.675 1.355 . . . . 10.0 111.188 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.56 -27.35 55.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.635 -0.666 . . . . 10.0 110.415 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.186 -0.911 . . . . 10.0 110.207 179.865 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 120.839 0.352 . . . . 10.0 110.471 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.03 -80.02 0.05 OUTLIER Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.028 -1.229 . . . . 10.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 t -100.35 170.39 8.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.434 -1.039 . . . . 10.0 110.66 -179.61 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -6.37 49.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.663 -0.648 . . . . 10.0 111.108 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mt -107.71 -26.75 10.68 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.142 -0.973 . . . . 10.0 110.383 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -77.03 -39.92 48.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.881 . . . . 10.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.34 -31.97 73.38 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.338 -0.851 . . . . 10.0 110.033 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -74.33 -32.75 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.331 -0.856 . . . . 10.0 109.656 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.628 ' HA ' HD12 ' A' ' 12' ' ' ILE . 25.8 t-105 -53.59 -52.08 60.96 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.429 -0.794 . . . . 10.0 110.229 179.719 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.64 -40.73 95.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.518 -0.739 . . . . 10.0 109.816 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -60.21 -38.65 83.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.692 179.064 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 9' ' ' TRP . 31.3 mt -62.12 -36.7 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -62.51 -38.91 91.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.573 -0.705 . . . . 10.0 109.169 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.11 -44.78 62.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.613 -0.679 . . . . 10.0 109.434 178.642 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.5 t -64.78 -26.48 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.972 -0.455 . . . . 10.0 110.153 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.52 -43.95 76.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.293 -0.879 . . . . 10.0 109.765 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 t -64.32 -39.58 94.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.387 -0.821 . . . . 10.0 109.245 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.81 -36.95 76.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.61 -0.681 . . . . 10.0 109.976 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -41.46 41.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 10.0 110.128 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -59.63 -42.47 92.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.659 -0.651 . . . . 10.0 109.526 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -78.18 -40.55 37.35 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 10.0 109.495 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -54.32 -48.49 71.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.771 -0.581 . . . . 10.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.43 98.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.663 -0.648 . . . . 10.0 109.863 179.378 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -35.54 80.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -0.798 . . . . 10.0 110.056 179.218 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.06 66.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 10.0 110.445 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -98.36 -21.77 16.44 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.331 -0.856 . . . . 10.0 110.272 179.326 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 ' HB3' ' HE3' ' A' ' 28' ' ' MET . 0.9 OUTLIER -65.35 -47.25 77.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 10.0 110.56 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.676 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 mtm -97.47 -66.1 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 10.0 110.262 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.676 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 48.1 Cg_endo -85.3 -164.0 0.22 Allowed 'Trans proline' 0 N--CA 1.483 0.886 0 O-C-N 123.106 1.056 . . . . 10.0 110.507 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -99.3 -39.09 8.59 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.331 -0.856 . . . . 10.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.146 -0.93 . . . . 10.0 110.173 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 120.8 0.333 . . . . 10.0 110.577 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.28 -144.82 6.21 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.755 -1.338 . . . . 10.0 109.755 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -80.51 154.32 27.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.366 -1.079 . . . . 10.0 110.377 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -22.88 15.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.366 -0.834 . . . . 10.0 110.696 -179.833 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.64 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -58.48 -39.47 80.08 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.345 -0.847 . . . . 10.0 109.909 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -39.81 91.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.573 -0.704 . . . . 10.0 109.706 179.256 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.18 -41.39 99.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.632 -0.668 . . . . 10.0 109.854 179.251 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 5' ' ' LEU . 16.3 mt -66.19 -33.26 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.501 -0.749 . . . . 10.0 109.95 179.355 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.543 ' HA ' HD12 ' A' ' 12' ' ' ILE . 24.9 t-105 -57.25 -40.77 78.31 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.396 -0.815 . . . . 10.0 110.24 179.691 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.14 -42.66 98.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.553 -0.717 . . . . 10.0 109.628 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.509 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 81.5 t90 -67.64 -37.78 82.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.669 -0.644 . . . . 10.0 109.868 179.153 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 9' ' ' TRP . 43.1 mt -60.82 -35.29 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.416 -0.803 . . . . 10.0 109.61 179.285 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.1 t -73.55 -32.13 64.01 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.523 -0.736 . . . . 10.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.05 72.56 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 10.0 109.934 179.366 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.509 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 55.4 t -77.8 -16.9 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.616 -0.678 . . . . 10.0 110.664 179.707 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.44 -46.32 37.51 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.362 -0.837 . . . . 10.0 110.468 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.6 p -73.14 -40.43 64.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.301 -0.874 . . . . 10.0 109.721 178.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.53 -34.45 72.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.746 -0.596 . . . . 10.0 110.399 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -38.9 56.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.454 -0.778 . . . . 10.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -60.17 -42.73 95.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.439 -0.788 . . . . 10.0 110.224 179.334 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.76 18.63 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -0.772 . . . . 10.0 110.379 179.729 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -49.89 75.59 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 10.0 109.886 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.22 -34.31 77.37 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.672 -0.643 . . . . 10.0 109.955 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -39.38 94.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.359 -0.838 . . . . 10.0 109.718 179.19 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 -22.74 58.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.544 -0.722 . . . . 10.0 110.57 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -14.01 60.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.283 -0.886 . . . . 10.0 111.212 179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.72 -36.61 62.44 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.148 -0.97 . . . . 10.0 110.459 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.4 ttt -112.33 89.69 12.84 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.525 -0.735 . . . . 10.0 109.882 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -73.09 -178.46 3.58 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.833 1.438 . . . . 10.0 111.295 -179.703 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -144.13 -52.26 0.32 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.581 -0.699 . . . . 10.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.909 -1.043 . . . . 10.0 110.263 179.958 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.864 0.364 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.68 -91.34 2.17 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -81.25 67.1 7.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.521 -0.988 . . . . 10.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.48 40.14 3.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.496 -0.752 . . . . 10.0 110.013 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -40.54 23.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.449 -0.782 . . . . 10.0 110.18 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -38.01 84.65 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.625 -0.672 . . . . 10.0 110.476 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -4.58 45.59 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.457 -0.777 . . . . 10.0 110.943 179.584 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -101.47 -33.19 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.121 -0.987 . . . . 10.0 109.216 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.511 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -56.19 -45.61 79.74 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.443 -0.785 . . . . 10.0 110.562 179.911 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.32 -34.95 74.53 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.276 -0.89 . . . . 10.0 109.224 178.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -74.07 -36.98 64.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.593 -0.692 . . . . 10.0 109.372 178.691 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 mm -56.92 -40.29 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 10.0 108.936 178.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.0 t -63.77 -39.33 94.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.738 -0.601 . . . . 10.0 109.413 178.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -43.91 84.46 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.663 -0.648 . . . . 10.0 109.797 178.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -36.0 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.615 -0.678 . . . . 10.0 109.733 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.7 -40.08 71.91 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.621 -0.674 . . . . 10.0 110.194 179.643 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -61.79 -43.58 98.56 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.468 -0.77 . . . . 10.0 109.556 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -72.02 -34.92 69.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.457 -0.777 . . . . 10.0 109.392 178.61 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -39.97 63.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 10.0 109.581 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -47.84 83.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.29 -38.18 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.589 -0.694 . . . . 10.0 109.765 179.114 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -54.75 -49.26 71.26 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.701 -0.624 . . . . 10.0 109.562 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.07 -34.2 77.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.846 -0.534 . . . . 10.0 110.07 179.323 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.46 -39.43 87.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.464 -0.772 . . . . 10.0 109.897 179.233 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.31 -28.1 59.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 10.0 110.074 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.95 -21.38 66.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.468 -0.77 . . . . 10.0 110.866 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.06 -167.98 0.69 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.177 -0.952 . . . . 10.0 110.128 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.438 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 11.1 tpt 70.51 137.37 0.05 OUTLIER Pre-proline 0 N--CA 1.506 2.36 0 O-C-N 121.762 -0.586 . . . . 10.0 110.621 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -72.7 -177.73 3.01 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 O-C-N 123.708 1.373 . . . . 10.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 57.09 5.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.777 -0.577 . . . . 10.0 110.477 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.371 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.886 0.374 . . . . 10.0 110.414 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.77 -146.82 6.95 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.641 -1.383 . . . . 10.0 109.641 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t 57.71 97.04 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.933 -0.745 . . . . 10.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -32.37 65.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.45 -0.781 . . . . 10.0 110.54 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mt -56.67 -43.44 80.41 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.487 -0.758 . . . . 10.0 109.929 179.34 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -65.55 -38.37 89.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.499 -0.751 . . . . 10.0 109.675 179.079 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.12 -34.49 73.59 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.681 -0.637 . . . . 10.0 110.173 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 12' ' ' ILE . 20.3 mt -80.31 -38.67 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.387 -0.821 . . . . 10.0 110.316 179.707 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.54 ' HA ' HD12 ' A' ' 12' ' ' ILE . 24.2 t-105 -55.24 -48.53 73.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.415 -0.803 . . . . 10.0 110.695 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.53 -41.43 97.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.354 -0.841 . . . . 10.0 109.574 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 84.5 t90 -61.32 -40.37 93.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.697 -0.627 . . . . 10.0 109.782 179.17 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 9' ' ' TRP . 45.8 mt -63.0 -36.42 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.478 -0.764 . . . . 10.0 109.434 179.137 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -70.24 -39.47 75.04 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.491 -0.756 . . . . 10.0 110.119 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -40.56 96.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.377 -0.827 . . . . 10.0 110.059 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' TRP . 78.1 t -62.86 -39.68 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.728 -0.607 . . . . 10.0 109.469 179.263 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.75 -43.81 97.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -62.15 -40.81 97.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.575 -0.703 . . . . 10.0 109.609 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.586 -0.696 . . . . 10.0 109.617 179.204 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -40.39 74.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.695 -0.628 . . . . 10.0 109.578 179.01 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -63.26 -42.1 99.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.766 -0.584 . . . . 10.0 109.551 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -70.68 -36.1 73.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.741 . . . . 10.0 109.649 179.195 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 26' ' ' LYS . 2.1 t90 -54.84 -49.2 71.66 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.803 -0.56 . . . . 10.0 109.802 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -71.88 -37.06 70.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.772 -0.58 . . . . 10.0 110.063 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -39.78 94.92 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.305 -0.872 . . . . 10.0 109.676 179.316 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.576 -0.703 . . . . 10.0 110.061 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 22' ' ' TRP . 8.8 mtpt -62.53 -33.09 74.22 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.326 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.69 -35.85 73.27 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.49 -0.756 . . . . 10.0 110.445 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.1 ttm -69.07 124.31 90.1 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.477 -0.765 . . . . 10.0 110.032 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.58 -178.5 3.76 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 O-C-N 123.833 1.438 . . . . 10.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.18 158.52 24.12 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -0.764 . . . . 10.0 110.47 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 118.179 -0.915 . . . . 10.0 110.135 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.08 0.467 . . . . 10.0 110.224 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.22 -81.78 0.14 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -92.99 51.93 1.75 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.419 -1.048 . . . . 10.0 110.3 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -15.88 59.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.371 -0.831 . . . . 10.0 110.899 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.687 ' O ' HG22 ' A' ' 8' ' ' ILE . 1.2 mp -58.85 -33.48 70.49 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.296 -0.878 . . . . 10.0 110.169 179.692 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -34.16 41.78 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.27 -0.894 . . . . 10.0 109.4 178.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.87 -34.23 75.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.728 -0.607 . . . . 10.0 110.376 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 5' ' ' LEU . 2.7 tp -62.93 -25.0 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.301 -0.875 . . . . 10.0 110.768 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.498 ' HA ' HD12 ' A' ' 12' ' ' ILE . 17.3 t-105 -57.41 -42.47 82.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.25 -46.61 86.07 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.455 -0.778 . . . . 10.0 109.314 179.213 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -59.77 -39.78 86.01 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.605 -0.684 . . . . 10.0 109.589 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 9' ' ' TRP . 27.5 mt -59.65 -37.13 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.824 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.79 -38.01 79.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.567 -0.708 . . . . 10.0 109.523 178.584 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -42.99 99.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.745 . . . . 10.0 109.551 179.066 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.98 -30.94 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.742 -0.598 . . . . 10.0 109.678 178.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.37 -36.0 79.01 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.592 -0.693 . . . . 10.0 109.761 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -70.68 -44.04 67.85 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.428 -0.795 . . . . 10.0 109.149 178.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.06 -27.08 68.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.577 -0.702 . . . . 10.0 109.842 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -35.18 63.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.37 -0.831 . . . . 10.0 109.61 178.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -59.0 -49.27 78.54 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 10.0 109.154 178.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -39.75 75.84 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.431 -0.793 . . . . 10.0 109.089 178.401 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -56.73 -51.83 67.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 10.0 109.62 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -34.81 74.58 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.786 -0.571 . . . . 10.0 110.039 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -36.36 80.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.435 -0.79 . . . . 10.0 109.847 179.23 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.73 -28.85 33.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.544 -0.723 . . . . 10.0 109.762 178.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.44 -17.38 62.63 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.541 -0.724 . . . . 10.0 110.571 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -54.51 -28.93 48.6 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.468 -0.77 . . . . 10.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -62.08 166.9 5.65 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.472 -0.767 . . . . 10.0 110.325 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.4 -89.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.717 1.378 . . . . 10.0 110.952 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.98 178.08 8.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.19 -0.944 . . . . 10.0 110.69 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 117.843 -1.075 . . . . 10.0 110.15 179.727 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 121.125 0.488 . . . . 10.0 110.282 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.48 98.65 0.14 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.671 -1.372 . . . . 10.0 109.671 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p 37.03 45.0 0.42 Allowed 'General case' 0 N--CA 1.506 2.374 0 O-C-N 122.211 -0.582 . . . . 10.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -72.9 0.7 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 10.0 109.478 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.28 -3.59 59.04 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 10.0 110.389 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -18.93 18.5 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.275 -0.891 . . . . 10.0 110.581 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.56 -50.46 4.07 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.328 -0.858 . . . . 10.0 110.366 -179.833 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.436 HG22 ' CD1' ' A' ' 12' ' ' ILE . 96.8 mt -56.57 -37.18 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.681 -0.637 . . . . 10.0 110.863 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.505 ' HA ' HD12 ' A' ' 12' ' ' ILE . 14.0 t-105 -53.17 -46.5 68.94 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.401 -0.812 . . . . 10.0 110.596 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.26 -43.42 96.18 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.503 -0.748 . . . . 10.0 109.774 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -65.79 -38.49 89.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.695 -0.628 . . . . 10.0 109.799 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 9' ' ' TRP . 52.1 mt -60.22 -39.97 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.419 -0.801 . . . . 10.0 109.404 179.06 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.52 -36.06 81.77 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 10.0 109.468 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.78 -34.73 77.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.49 -0.756 . . . . 10.0 109.772 178.84 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -88.7 -25.97 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.721 -0.612 . . . . 10.0 110.17 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.89 -46.1 71.29 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.386 -0.821 . . . . 10.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -60.77 -43.36 98.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 10.0 109.876 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.12 -33.65 65.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.521 -0.737 . . . . 10.0 109.979 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -45.25 61.96 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.605 -0.684 . . . . 10.0 110.172 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -44.18 94.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.606 -0.684 . . . . 10.0 109.98 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -68.8 -38.49 79.99 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.524 -0.735 . . . . 10.0 109.906 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.693 . . . . 10.0 109.666 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.75 -37.08 70.58 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.832 -0.543 . . . . 10.0 110.57 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -70.44 -34.95 73.05 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 10.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.4 -10.19 54.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.97 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.72 -52.29 3.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 10.0 110.798 -179.69 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.21 -47.82 1.87 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.263 -0.898 . . . . 10.0 110.859 -179.527 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp 57.36 62.79 5.38 Favored Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.638 -0.664 . . . . 10.0 110.335 -179.6 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.02 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 123.763 1.402 . . . . 10.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 151.33 15.88 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.516 -0.74 . . . . 10.0 110.499 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 118.65 -0.69 . . . . 10.0 110.619 -179.806 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.994 0.426 . . . . 10.0 110.298 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.68 -161.7 48.31 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.837 -1.305 . . . . 10.0 109.837 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -157.66 60.51 0.48 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.467 -1.02 . . . . 10.0 110.195 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -118.38 -178.24 3.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.33 -0.856 . . . . 10.0 110.226 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.95 -67.65 0.16 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.835 -0.541 . . . . 10.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.69 90.2 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.231 -0.918 . . . . 10.0 109.947 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.32 -39.37 89.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.645 -0.66 . . . . 10.0 109.826 179.146 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.4 mm -60.16 -43.03 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.479 -0.763 . . . . 10.0 109.558 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -68.29 -34.58 76.42 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.475 -0.765 . . . . 10.0 109.682 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.69 -43.4 85.08 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.583 -0.698 . . . . 10.0 109.245 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -69.74 -40.76 75.98 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.513 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 46.1 mt -59.26 -38.41 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.692 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.0 t -64.47 -37.34 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.722 -0.611 . . . . 10.0 109.504 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.66 -48.05 82.4 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.613 0.72 . . . . 10.0 109.352 178.798 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 t -73.29 -31.37 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.909 -0.494 . . . . 10.0 109.914 179.102 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -58.52 -45.2 89.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.509 -0.745 . . . . 10.0 110.667 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -61.67 -40.85 96.41 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.391 -0.818 . . . . 10.0 109.95 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.27 -40.02 71.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.449 -0.782 . . . . 10.0 109.4 178.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -37.53 71.01 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 10.0 109.486 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -57.8 -45.55 85.91 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.772 -0.58 . . . . 10.0 109.549 178.925 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -70.44 -34.8 72.88 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.474 -0.766 . . . . 10.0 109.772 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -55.26 -49.51 71.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.595 -0.69 . . . . 10.0 109.506 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.84 -36.13 79.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 109.999 179.244 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -44.23 92.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.438 -0.788 . . . . 10.0 109.882 179.37 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.5 78.46 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.688 -0.632 . . . . 10.0 110.212 179.41 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -68.46 -30.99 69.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.504 -0.747 . . . . 10.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tt -73.91 -59.25 2.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.449 -0.782 . . . . 10.0 109.785 179.643 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 ttt 66.67 137.99 0.05 OUTLIER Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 122.028 -0.42 . . . . 10.0 111.266 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -73.29 -171.33 0.79 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 O-C-N 123.641 1.337 . . . . 10.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -116.0 -176.76 3.01 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.407 -0.808 . . . . 10.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.873 -1.06 . . . . 10.0 110.296 179.944 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 121.096 0.474 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.93 133.12 12.53 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.71 -1.356 . . . . 10.0 109.71 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 p -103.49 99.9 9.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.51 -0.994 . . . . 10.0 110.441 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' HE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -100.65 14.71 30.57 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.357 -0.839 . . . . 10.0 110.713 179.883 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.85 -52.06 48.06 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.167 -0.958 . . . . 10.0 109.523 179.367 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.515 ' HG2' ' HB2' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -62.0 -36.38 81.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 10.0 109.182 178.652 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.07 -29.43 65.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.617 -0.677 . . . . 10.0 110.489 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.436 HD11 ' HE3' ' A' ' 4' ' ' TRP . 67.0 mt -102.11 -51.68 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.281 -0.887 . . . . 10.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -62.13 -52.55 63.39 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.498 -0.751 . . . . 10.0 110.88 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.515 ' HB2' ' HG2' ' A' ' 6' ' ' ARG . 3.7 t70 -60.24 -37.57 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.38 -0.825 . . . . 10.0 110.099 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -64.11 -44.77 91.25 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.491 -0.756 . . . . 10.0 110.157 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.48 -35.06 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.333 -0.855 . . . . 10.0 109.212 179.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -68.36 -39.24 81.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 10.0 110.037 179.075 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -43.07 62.91 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 10.0 109.943 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.67 -48.33 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.72 -0.612 . . . . 10.0 109.687 179.3 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -45.37 92.9 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.558 -0.714 . . . . 10.0 110.26 179.695 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -62.29 -41.04 98.16 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.356 -0.84 . . . . 10.0 109.6 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.57 -42.55 78.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.615 -0.678 . . . . 10.0 109.695 179.04 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.82 -44.62 49.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.709 -0.619 . . . . 10.0 110.42 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -37.4 87.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.711 -0.618 . . . . 10.0 110.549 179.732 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 m -82.88 -33.78 26.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -56.64 -49.51 74.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.595 -0.691 . . . . 10.0 109.603 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -35.53 80.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.806 -0.559 . . . . 10.0 110.179 179.443 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.13 -32.39 63.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.387 -0.821 . . . . 10.0 110.7 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.8 -34.5 19.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.358 -0.839 . . . . 10.0 111.008 -179.558 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -86.92 -49.94 7.03 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.236 -0.915 . . . . 10.0 110.964 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -39.35 8.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.29 -0.881 . . . . 10.0 110.671 -179.609 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttt 57.18 66.05 3.3 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.743 -0.598 . . . . 10.0 110.591 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' O ' ' HB2' ' A' ' 30' ' ' GLN . 49.7 Cg_endo -78.25 -161.93 0.16 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.798 1.42 . . . . 10.0 110.796 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 5.4 mm-40 64.49 109.57 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.308 0.575 . . . . 10.0 111.027 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.102 0 CA-C-O 118.225 -0.893 . . . . 10.0 111.046 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.19 0.519 . . . . 10.0 110.115 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.14 46.06 1.08 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.749 -1.34 . . . . 10.0 109.749 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p 46.01 -149.12 0.1 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.878 -0.778 . . . . 10.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.503 ' HZ3' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -82.23 -5.77 58.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.238 -0.914 . . . . 10.0 110.638 179.587 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.2 mp -60.2 -35.79 76.2 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.201 -0.937 . . . . 10.0 109.9 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -31.84 70.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.296 -0.878 . . . . 10.0 109.245 178.588 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.6 -36.73 25.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.731 -0.606 . . . . 10.0 110.845 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.6 tp -66.33 -28.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.323 -0.86 . . . . 10.0 110.936 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.506 ' HE3' ' HA ' ' A' ' 9' ' ' TRP . 2.3 t-105 -64.54 -53.87 41.09 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.216 -0.928 . . . . 10.0 109.716 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.99 -38.98 93.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.725 . . . . 10.0 109.745 178.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 80.3 t90 -65.23 -42.95 92.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.504 -0.747 . . . . 10.0 110.155 179.475 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.66 -37.8 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.366 -0.834 . . . . 10.0 109.28 179.112 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -65.93 -34.6 78.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.522 -0.736 . . . . 10.0 109.656 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -45.14 62.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.551 -0.718 . . . . 10.0 109.973 179.301 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 54.5 t -71.08 -30.28 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.761 -0.587 . . . . 10.0 110.508 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.9 -45.67 78.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.46 -0.775 . . . . 10.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.5 -0.75 . . . . 10.0 109.778 179.512 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.14 -44.35 80.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.485 -0.759 . . . . 10.0 109.517 179.063 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.16 -41.98 28.36 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.697 -0.627 . . . . 10.0 110.328 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.26 -42.57 98.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.588 -0.695 . . . . 10.0 110.542 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -84.57 -40.16 17.89 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 10.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -56.43 -44.2 80.16 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.577 -0.702 . . . . 10.0 110.141 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.6 mm? -66.82 -37.62 84.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.812 -0.555 . . . . 10.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -77.94 -35.84 49.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.194 -0.941 . . . . 10.0 110.245 179.648 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.5 61.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -64.1 -40.95 97.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.236 -0.915 . . . . 10.0 110.624 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 123.32 30.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.392 -0.817 . . . . 10.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.508 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -161.02 -63.19 0.02 OUTLIER Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.384 -0.822 . . . . 10.0 110.836 -179.878 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 28' ' ' MET . 40.6 Cg_endo -69.7 -78.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 O-C-N 123.485 1.255 . . . . 10.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 57.54 -165.88 0.15 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.565 -0.709 . . . . 10.0 110.7 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.228 -0.892 . . . . 10.0 110.269 -179.888 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.753 0.311 . . . . 10.0 110.495 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.8 -179.39 23.61 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.994 -1.242 . . . . 10.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -102.4 101.94 12.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.28 -1.129 . . . . 10.0 110.187 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.504 -0.748 . . . . 10.0 110.679 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.61 -41.28 90.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.323 -0.861 . . . . 10.0 109.664 179.273 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.48 -36.87 79.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.628 -0.67 . . . . 10.0 109.641 179.04 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.11 -37.52 77.38 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.671 -0.643 . . . . 10.0 110.353 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt -87.62 -43.63 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.376 -0.828 . . . . 10.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -59.87 -39.4 85.13 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.523 -0.736 . . . . 10.0 110.553 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.55 -47.18 86.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.453 -0.779 . . . . 10.0 110.045 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -62.64 -41.72 99.19 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.502 -0.749 . . . . 10.0 110.027 179.526 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.65 -36.25 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.379 -0.826 . . . . 10.0 109.614 179.329 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 t -71.62 -39.14 70.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 10.0 110.184 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.03 96.65 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.331 -0.855 . . . . 10.0 109.998 179.535 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.39 -34.44 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.729 -0.607 . . . . 10.0 109.883 179.252 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.44 -44.28 97.4 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.491 -0.755 . . . . 10.0 109.803 179.475 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -64.45 -39.46 93.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.61 -0.681 . . . . 10.0 109.276 178.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.81 -40.58 79.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.599 -0.688 . . . . 10.0 109.341 178.715 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -44.07 67.19 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.703 -0.623 . . . . 10.0 109.412 179.236 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -62.5 -46.69 87.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.738 -0.602 . . . . 10.0 109.585 178.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -65.69 -39.68 91.51 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.567 -0.708 . . . . 10.0 109.933 179.234 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -54.99 -48.01 73.87 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.622 -0.673 . . . . 10.0 109.496 179.226 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.43 -41.21 89.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.88 -0.513 . . . . 10.0 110.133 179.37 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.59 -41.94 92.28 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.428 -0.795 . . . . 10.0 109.995 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.89 81.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.519 -0.738 . . . . 10.0 110.399 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -77.78 -35.96 51.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.407 -0.808 . . . . 10.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.04 -29.77 43.72 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.5 -0.75 . . . . 10.0 110.764 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 tpt -62.08 120.67 59.99 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.361 -0.837 . . . . 10.0 110.341 -179.869 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' GLN . 46.1 Cg_endo -75.51 -178.88 4.59 Favored 'Trans proline' 0 C--N 1.316 -1.179 0 O-C-N 123.874 1.46 . . . . 10.0 110.84 179.885 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 29.5 mt-30 60.1 -84.94 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 O-C-N 122.168 -0.333 . . . . 10.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.912 -1.042 . . . . 10.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 120.959 0.409 . . . . 10.0 110.358 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.58 28.89 37.59 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 -179.615 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -115.77 134.55 54.9 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.519 -0.989 . . . . 10.0 110.084 -179.854 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -97.1 -30.38 13.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.563 -0.71 . . . . 10.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.32 -50.05 4.47 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.392 -179.754 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -35.59 63.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.517 -0.74 . . . . 10.0 110.68 179.78 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -46.66 83.3 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.713 . . . . 10.0 110.192 179.729 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.29 -45.49 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.649 -0.657 . . . . 10.0 109.845 179.601 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.521 ' HA ' HD12 ' A' ' 12' ' ' ILE . 41.1 m95 -59.86 -38.0 80.9 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.625 -0.672 . . . . 10.0 110.328 179.79 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.91 -46.06 89.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.556 -0.715 . . . . 10.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.42 -40.51 96.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.492 -0.755 . . . . 10.0 109.718 179.259 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 9' ' ' TRP . 51.9 mt -59.41 -33.76 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.506 -0.746 . . . . 10.0 109.264 179.065 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.88 -37.15 62.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.543 -0.723 . . . . 10.0 109.714 178.906 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.85 -38.4 88.08 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.518 -0.739 . . . . 10.0 109.967 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.51 -37.3 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.721 -0.612 . . . . 10.0 109.725 179.418 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -47.15 76.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.569 -0.707 . . . . 10.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -62.9 -35.88 81.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.36 -0.838 . . . . 10.0 110.11 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.66 -44.75 85.35 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.446 -0.783 . . . . 10.0 109.596 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -38.06 74.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.692 -0.63 . . . . 10.0 109.736 178.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -42.17 99.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.672 -0.642 . . . . 10.0 109.724 179.286 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -77.15 -33.08 56.7 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.502 -0.749 . . . . 10.0 109.875 179.343 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -55.18 -49.64 71.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.536 -0.727 . . . . 10.0 109.481 179.164 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.86 -38.68 89.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.891 -0.506 . . . . 10.0 110.007 179.219 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -63.18 -42.03 99.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.469 -0.769 . . . . 10.0 109.845 179.34 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.12 80.57 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.602 -0.686 . . . . 10.0 110.014 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -67.78 -39.87 84.04 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.513 -0.742 . . . . 10.0 110.21 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 tp -152.74 125.41 8.32 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.416 -0.803 . . . . 10.0 110.284 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 mmm -146.51 83.92 8.03 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.625 -0.672 . . . . 10.0 110.141 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.73 176.02 9.95 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.795 1.418 . . . . 10.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.543 ' C ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -159.36 137.27 10.24 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.656 -0.653 . . . . 10.0 110.323 179.876 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.983 -1.008 . . . . 10.0 111.059 179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.997 0.427 . . . . 10.0 110.199 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.35 -167.79 43.55 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.859 -1.297 . . . . 10.0 109.859 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 91.12 1.84 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.435 -1.038 . . . . 10.0 110.112 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.437 ' CZ3' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -109.87 -33.53 6.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.247 -0.908 . . . . 10.0 110.892 -179.821 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.0 tp -80.31 -33.72 37.34 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.267 -0.896 . . . . 10.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -53.68 -50.12 66.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.489 -0.757 . . . . 10.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.75 -41.49 91.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.58 -0.7 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 5' ' ' LEU . 85.7 mt -57.96 -44.15 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.471 -0.768 . . . . 10.0 109.829 179.588 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -59.06 -42.11 89.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.548 -0.72 . . . . 10.0 109.616 179.483 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.73 -44.79 73.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.674 -0.641 . . . . 10.0 109.313 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 83.5 t90 -56.56 -41.53 77.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.748 -0.595 . . . . 10.0 110.115 179.311 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.4 -36.92 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.49 -0.756 . . . . 10.0 109.434 179.051 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.3 t -70.99 -37.63 72.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.53 -0.732 . . . . 10.0 110.086 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.54 -41.72 88.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.443 -0.786 . . . . 10.0 110.2 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 93.1 t -67.47 -37.48 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.62 -0.675 . . . . 10.0 109.946 179.432 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.68 -45.32 85.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.455 -0.778 . . . . 10.0 109.948 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -35.96 61.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.535 -0.728 . . . . 10.0 109.541 178.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.6 -37.14 86.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.645 -0.659 . . . . 10.0 110.315 179.539 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -41.39 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.507 -0.746 . . . . 10.0 110.895 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -67.51 -46.46 72.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.44 -0.788 . . . . 10.0 110.4 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 p -75.1 -34.11 61.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.26 -0.9 . . . . 10.0 110.355 179.769 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -56.09 -50.11 71.93 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.486 -0.759 . . . . 10.0 109.682 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.44 -40.7 96.24 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 120.358 -0.537 . . . . 10.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.99 -39.53 93.6 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.505 -0.747 . . . . 10.0 109.866 179.313 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.16 62.31 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.549 -0.719 . . . . 10.0 110.335 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -42.61 71.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.433 -0.792 . . . . 10.0 110.564 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.16 135.56 30.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.345 -0.847 . . . . 10.0 110.532 -179.749 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.66 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -170.94 -58.3 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.738 -0.601 . . . . 10.0 111.009 179.769 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 45.0 Cg_endo -71.27 -176.49 1.93 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 O-C-N 123.153 1.081 . . . . 10.0 111.594 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -73.47 -29.7 62.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.601 -0.687 . . . . 10.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.916 -1.04 . . . . 10.0 110.34 -179.998 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.136 0.493 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.04 70.75 1.28 Allowed Glycine 0 N--CA 1.495 2.58 0 N-CA-C 109.654 -1.379 . . . . 10.0 109.654 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 p -79.67 113.28 17.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.395 -1.062 . . . . 10.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.73 0.76 33.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.357 -0.839 . . . . 10.0 111.045 179.716 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.96 -22.7 66.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.064 -1.023 . . . . 10.0 110.43 179.485 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -42.71 91.71 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.279 -0.888 . . . . 10.0 110.164 179.531 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -80.97 -25.35 37.4 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.428 -0.795 . . . . 10.0 110.404 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -79.61 -42.33 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.233 -0.917 . . . . 10.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.407 ' HA ' HD12 ' A' ' 12' ' ' ILE . 6.1 t-105 -56.0 -51.74 66.69 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.532 -0.73 . . . . 10.0 110.94 -179.373 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.34 -41.3 93.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.376 -0.828 . . . . 10.0 110.205 179.827 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.62 -42.8 93.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.541 -0.724 . . . . 10.0 109.884 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 9' ' ' TRP . 49.5 mt -61.36 -37.75 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.514 -0.741 . . . . 10.0 109.411 179.164 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 t -66.78 -39.0 87.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.502 -0.749 . . . . 10.0 109.934 179.295 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -40.18 93.66 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.503 -0.748 . . . . 10.0 110.014 179.504 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.762 -0.586 . . . . 10.0 109.829 179.276 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -39.39 73.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.59 -0.694 . . . . 10.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -61.75 -44.24 97.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.511 -0.743 . . . . 10.0 109.664 179.379 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' O ' HG22 ' A' ' 21' ' ' THR . 7.2 t70 -72.54 -45.82 57.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 10.0 109.637 179.08 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -37.42 11.65 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.574 -0.704 . . . . 10.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.28 90.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.461 -0.774 . . . . 10.0 110.356 179.56 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' ASP . 11.2 t -87.26 -31.23 20.37 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.312 -0.867 . . . . 10.0 110.022 179.353 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -59.41 -50.46 73.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.494 -0.754 . . . . 10.0 109.008 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.7 -39.71 91.52 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.97 -0.456 . . . . 10.0 109.83 179.185 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -62.2 -44.32 96.84 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.088 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.58 80.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.719 . . . . 10.0 109.91 179.498 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -90.09 35.81 0.86 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 10.0 110.371 179.477 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.43 28.99 7.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.298 -0.876 . . . . 10.0 110.317 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.7 tpp -123.85 72.98 54.12 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.178 -0.951 . . . . 10.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -74.52 -178.42 4.01 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 O-C-N 123.883 1.465 . . . . 10.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -114.38 154.78 27.48 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.55 -0.719 . . . . 10.0 110.278 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.3 -179.933 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.826 0.346 . . . . 10.0 110.534 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.68 -55.84 0.09 OUTLIER Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.977 -1.249 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 p -82.37 67.25 8.33 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.403 -1.057 . . . . 10.0 110.441 -179.798 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -18.94 59.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.356 -0.84 . . . . 10.0 111.036 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.03 -43.86 82.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.096 -1.002 . . . . 10.0 109.76 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -38.9 88.05 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.474 -0.766 . . . . 10.0 109.525 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.14 -43.56 82.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.66 -0.65 . . . . 10.0 109.762 179.199 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 12' ' ' ILE . 33.4 mt -66.87 -44.12 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.507 -0.746 . . . . 10.0 109.687 179.443 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -39.08 93.58 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.63 -0.669 . . . . 10.0 109.993 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.11 -46.12 85.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.665 -0.647 . . . . 10.0 109.786 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -67.65 -41.02 84.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.426 -0.796 . . . . 10.0 109.763 179.09 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 8' ' ' ILE . 13.1 mt -57.72 -36.63 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.52 -0.737 . . . . 10.0 109.299 178.875 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 t -70.87 -38.95 73.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.536 -0.728 . . . . 10.0 109.573 178.708 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.0 -43.74 98.44 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.524 -0.735 . . . . 10.0 109.72 179.157 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.99 -35.2 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.773 -0.58 . . . . 10.0 109.741 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.03 -44.58 91.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 10.0 109.613 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -67.0 -36.49 82.27 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.721 . . . . 10.0 109.296 178.738 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.49 -40.82 69.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.567 -0.708 . . . . 10.0 110.012 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.96 46.15 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.65 -0.657 . . . . 10.0 110.179 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -46.32 90.28 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.689 -0.632 . . . . 10.0 109.664 179.242 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -71.59 -35.93 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.783 . . . . 10.0 109.929 179.458 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.41 -47.59 81.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.534 -0.729 . . . . 10.0 109.525 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -40.93 93.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.931 -0.48 . . . . 10.0 110.288 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -40.69 61.92 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.314 -0.866 . . . . 10.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.35 93.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.49 -0.756 . . . . 10.0 109.993 179.572 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -92.33 32.48 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.488 -0.758 . . . . 10.0 110.053 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -53.63 2.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.39 -0.819 . . . . 10.0 109.957 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.42 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 2.2 mtm -61.45 -56.05 37.18 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.6 -0.687 . . . . 10.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 28' ' ' MET . 42.0 Cg_endo -72.92 -79.45 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.095 0 O-C-N 123.556 1.292 . . . . 10.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 61.39 55.71 2.8 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.618 -0.676 . . . . 10.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 117.946 -1.026 . . . . 10.0 110.503 179.735 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 120.827 0.346 . . . . 10.0 110.324 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.62 -98.92 1.66 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.484 -1.446 . . . . 10.0 109.484 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t 49.02 39.4 14.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.77 -0.841 . . . . 10.0 110.94 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.09 -55.75 14.93 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.158 -0.964 . . . . 10.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.87 -43.96 94.45 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.402 -0.811 . . . . 10.0 110.297 179.901 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.47 -37.25 86.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.594 -0.691 . . . . 10.0 110.191 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.47 -46.79 81.58 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.586 -0.696 . . . . 10.0 110.246 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.21 -44.12 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.491 -0.755 . . . . 10.0 109.962 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.485 ' HA ' HD12 ' A' ' 12' ' ' ILE . 5.4 m95 -65.12 -35.71 81.99 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.3 -0.875 . . . . 10.0 109.927 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.3 -42.91 99.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.545 -0.722 . . . . 10.0 109.549 179.005 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -65.46 -40.03 92.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.637 -0.664 . . . . 10.0 109.806 179.2 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 9' ' ' TRP . 52.7 mt -62.1 -38.23 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.591 -0.693 . . . . 10.0 109.527 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.25 -35.24 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.573 -0.705 . . . . 10.0 109.855 179.141 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.86 -43.43 83.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.585 -0.697 . . . . 10.0 109.791 179.333 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.51 -46.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.905 -0.497 . . . . 10.0 109.897 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -44.78 95.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.539 -0.726 . . . . 10.0 110.387 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -60.82 -44.36 97.0 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.462 -0.774 . . . . 10.0 109.853 179.536 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.93 -40.04 79.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.446 -0.784 . . . . 10.0 109.753 179.179 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -43.34 20.09 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.587 -0.696 . . . . 10.0 110.489 179.728 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -43.94 97.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.579 -0.701 . . . . 10.0 110.157 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -78.11 -41.04 36.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.358 -0.839 . . . . 10.0 110.164 179.657 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -57.67 -41.6 81.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.5 -0.75 . . . . 10.0 110.233 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -19.85 59.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.673 -0.642 . . . . 10.0 111.363 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -99.55 -37.79 9.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.008 -1.058 . . . . 10.0 110.817 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.93 -11.35 60.1 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.273 -0.892 . . . . 10.0 111.394 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -49.8 7.02 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.949 -1.094 . . . . 10.0 110.497 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.3 -26.99 7.76 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.469 -0.769 . . . . 10.0 111.449 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.3 tpt 53.01 77.75 0.43 Allowed Pre-proline 0 N--CA 1.5 2.075 0 O-C-N 121.359 -0.838 . . . . 10.0 110.784 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -73.99 -176.14 2.49 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.719 1.379 . . . . 10.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.8 166.4 25.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.447 0 CA-C-O 117.714 -1.136 . . . . 10.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.47 141.08 4.99 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.814 -1.314 . . . . 10.0 109.814 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -103.02 48.83 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.409 -1.054 . . . . 10.0 110.346 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -0.32 15.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.186 -0.946 . . . . 10.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.0 mm? -62.27 -50.1 73.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.137 -0.977 . . . . 10.0 109.95 179.836 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -36.63 80.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.526 -0.734 . . . . 10.0 109.566 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.51 -40.74 83.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.706 -0.621 . . . . 10.0 109.777 179.046 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mt -72.54 -32.85 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.58 -0.7 . . . . 10.0 110.169 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.415 ' HA ' HD12 ' A' ' 12' ' ' ILE . 9.3 t-105 -55.25 -53.24 58.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.405 -0.809 . . . . 10.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.22 -37.14 86.35 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.398 -0.814 . . . . 10.0 109.534 179.017 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CH2' HG21 ' A' ' 15' ' ' VAL . 86.4 t90 -59.34 -39.99 84.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 10.0 109.869 179.142 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 9' ' ' TRP . 36.2 mt -61.49 -37.99 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.481 -0.762 . . . . 10.0 109.278 179.001 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.44 -39.06 85.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 10.0 109.788 178.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -35.95 82.79 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.415 -0.803 . . . . 10.0 109.643 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.425 HG21 ' CH2' ' A' ' 11' ' ' TRP . 58.5 t -81.72 -24.8 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.656 -0.652 . . . . 10.0 109.619 179.011 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -52.25 65.58 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 10.0 109.799 179.502 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -66.06 -38.08 87.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.478 -0.764 . . . . 10.0 109.348 178.801 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.691 -0.63 . . . . 10.0 109.636 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -43.33 83.93 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.837 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -44.52 94.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.778 -0.576 . . . . 10.0 109.451 179.067 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.7 m -68.37 -35.42 77.69 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.544 -0.722 . . . . 10.0 109.724 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -56.84 -47.59 80.0 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.647 -0.658 . . . . 10.0 109.357 179.019 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.44 -42.91 99.5 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -66.3 -37.51 85.58 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.477 -0.764 . . . . 10.0 109.714 179.076 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.64 64.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.536 -0.728 . . . . 10.0 110.22 179.293 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -40.56 97.03 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.358 -0.839 . . . . 10.0 110.522 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pp -89.65 1.46 55.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.433 -0.792 . . . . 10.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.6 mtp -85.15 118.46 70.88 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.12 -0.987 . . . . 10.0 110.233 179.726 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -74.92 -175.74 2.5 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.845 1.445 . . . . 10.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -137.15 148.69 46.78 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.516 -0.74 . . . . 10.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 CA-C-O 117.889 -1.053 . . . . 10.0 110.355 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 4' ' ' TRP . 29.3 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.135 0.493 . . . . 10.0 110.377 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.69 -49.95 2.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.458 -1.457 . . . . 10.0 109.458 179.664 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -93.62 54.29 2.0 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.521 -0.987 . . . . 10.0 110.183 179.786 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.42 ' CD1' ' HB3' ' A' ' 1' ' ' SER . 0.0 OUTLIER -95.19 -12.55 26.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.422 -0.799 . . . . 10.0 110.872 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.645 ' O ' HG22 ' A' ' 8' ' ' ILE . 11.8 mt -58.96 -34.8 72.2 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.229 -0.919 . . . . 10.0 110.312 179.809 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -35.48 50.87 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.83 . . . . 10.0 109.291 178.868 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.1 -37.36 75.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 10.0 110.615 179.618 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 5' ' ' LEU . 2.9 tp -61.16 -25.69 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.342 -0.849 . . . . 10.0 110.806 -179.802 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.445 ' HA ' HD12 ' A' ' 12' ' ' ILE . 16.3 t-105 -58.02 -41.97 84.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.338 -0.851 . . . . 10.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.25 -47.11 85.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.418 -0.801 . . . . 10.0 109.307 179.186 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.14 -40.74 86.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.57 -0.706 . . . . 10.0 109.658 179.042 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 9' ' ' TRP . 39.4 mt -62.34 -36.08 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.481 -0.762 . . . . 10.0 109.359 178.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.9 -39.7 79.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 10.0 109.987 179.131 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -37.46 85.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.524 -0.735 . . . . 10.0 109.735 179.284 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -79.14 -31.33 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -45.43 91.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -65.66 -41.37 92.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.402 -0.811 . . . . 10.0 109.316 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.06 -44.77 83.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.695 -0.628 . . . . 10.0 109.699 179.074 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -38.48 63.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.703 -0.623 . . . . 10.0 109.893 179.457 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -40.19 96.76 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.544 -0.723 . . . . 10.0 109.891 179.097 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -81.28 -36.45 29.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.339 -0.85 . . . . 10.0 109.677 179.366 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -56.44 -50.09 72.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.617 -0.677 . . . . 10.0 109.28 179.05 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.14 -39.51 94.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.86 -0.525 . . . . 10.0 110.052 179.203 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -38.92 90.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.41 -0.806 . . . . 10.0 109.837 179.28 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.69 88.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.509 -0.744 . . . . 10.0 110.308 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.07 -33.41 67.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.418 -0.802 . . . . 10.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 tp -87.13 98.94 11.58 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.083 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.12 152.79 22.47 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.537 -0.727 . . . . 10.0 110.466 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -77.93 -162.26 0.17 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.848 1.446 . . . . 10.0 110.508 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.59 -40.73 89.04 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.366 -0.834 . . . . 10.0 110.268 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 118.465 -0.779 . . . . 10.0 110.842 179.769 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 120.796 0.332 . . . . 10.0 110.43 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.77 -122.23 10.14 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.778 -1.329 . . . . 10.0 109.778 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.17 72.07 2.44 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.476 -1.014 . . . . 10.0 110.071 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.67 24.9 6.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.808 . . . . 10.0 110.698 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.48 -46.04 74.14 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.272 -0.893 . . . . 10.0 109.968 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -35.86 82.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.528 -0.733 . . . . 10.0 109.582 179.376 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -39.11 85.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.58 -0.7 . . . . 10.0 109.959 179.245 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 8' ' ' ILE . 26.2 mm -68.11 -36.67 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.439 -0.788 . . . . 10.0 110.126 179.567 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.47 ' HA ' HD12 ' A' ' 12' ' ' ILE . 24.8 t-105 -55.75 -39.43 71.15 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.437 -0.789 . . . . 10.0 110.382 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.21 -46.42 83.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.4 -0.813 . . . . 10.0 109.29 179.033 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -62.34 -36.52 82.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 10.0 109.325 178.643 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 9' ' ' TRP . 18.6 mt -58.84 -35.21 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 178.537 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.3 t -65.08 -38.27 90.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.696 -0.627 . . . . 10.0 109.457 178.654 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.28 -45.92 85.91 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.47 -0.769 . . . . 10.0 109.449 178.788 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -29.51 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.791 -0.568 . . . . 10.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.1 tm? -59.92 -40.48 89.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.62 -0.675 . . . . 10.0 109.917 179.271 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -45.88 90.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.422 -0.798 . . . . 10.0 109.465 178.918 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.66 -33.5 66.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.645 -0.659 . . . . 10.0 109.557 178.679 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.42 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.71 -34.9 65.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 10.0 109.309 178.87 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -59.87 -42.92 94.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.694 -0.629 . . . . 10.0 109.506 178.842 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -38.31 32.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.544 -0.722 . . . . 10.0 109.38 178.896 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -58.34 -50.19 74.53 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.672 -0.643 . . . . 10.0 109.556 179.073 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -36.09 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.876 -0.515 . . . . 10.0 110.239 179.474 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.26 -39.12 92.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.232 -0.918 . . . . 10.0 110.145 179.663 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.5 88.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.487 -0.758 . . . . 10.0 110.188 179.366 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -74.69 -24.18 58.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.423 -0.798 . . . . 10.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -39.82 81.97 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.591 -0.693 . . . . 10.0 110.784 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.47 120.72 70.34 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.414 -0.804 . . . . 10.0 109.902 179.737 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.95 178.32 5.44 Favored 'Trans proline' 0 C--N 1.315 -1.192 0 O-C-N 123.742 1.39 . . . . 10.0 111.146 -179.811 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.48 76.85 1.23 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 10.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.12 0.486 . . . . 10.0 110.479 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.84 55.53 0.38 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.575 -1.41 . . . . 10.0 109.575 -179.931 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -107.16 87.56 2.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.484 -1.009 . . . . 10.0 110.095 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.475 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -92.47 -161.12 0.8 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 10.0 110.151 179.936 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 5.1 mt 67.55 -63.57 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.941 -0.475 . . . . 10.0 110.953 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -61.37 -39.14 89.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.198 -0.939 . . . . 10.0 110.155 179.67 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -57.58 -33.54 68.29 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.703 . . . . 10.0 110.012 179.256 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.464 HD11 ' CZ3' ' A' ' 4' ' ' TRP . 13.9 mt -76.55 -48.86 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.459 -0.776 . . . . 10.0 109.86 179.412 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.75 -42.81 97.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.461 -0.774 . . . . 10.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.93 -43.45 94.93 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.5 -0.75 . . . . 10.0 109.876 179.576 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.82 -37.64 84.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.449 -0.782 . . . . 10.0 109.806 179.189 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.01 -36.89 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.496 -0.752 . . . . 10.0 109.401 179.126 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -73.75 -38.02 64.87 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 10.0 109.894 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -43.77 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.39 -0.819 . . . . 10.0 109.757 179.415 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.42 -34.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.616 -0.677 . . . . 10.0 109.515 178.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -61.5 -43.75 98.31 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.482 -0.761 . . . . 10.0 109.039 178.919 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 t -70.22 -38.61 75.28 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.616 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.81 -30.42 69.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.75 -0.593 . . . . 10.0 110.577 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -33.16 20.58 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.296 -0.878 . . . . 10.0 110.451 179.604 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.52 19.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.497 -0.752 . . . . 10.0 109.975 179.207 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -74.28 -42.47 59.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.346 -0.846 . . . . 10.0 110.767 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -55.78 -49.84 72.07 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.406 -0.809 . . . . 10.0 110.075 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.91 -30.98 67.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.712 -0.617 . . . . 10.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.13 -42.66 62.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.448 -0.782 . . . . 10.0 109.879 179.379 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -26.81 68.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.762 . . . . 10.0 110.501 179.383 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.23 -41.62 68.92 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.466 -0.771 . . . . 10.0 110.307 179.66 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 34.48 2.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.46 -0.775 . . . . 10.0 110.146 179.434 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 mtp -132.65 85.03 48.7 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.376 -0.827 . . . . 10.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.45 -179.93 4.93 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.758 1.399 . . . . 10.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -145.48 -52.48 0.27 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.167 -0.92 . . . . 10.0 110.234 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.069 0.461 . . . . 10.0 110.444 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.81 -91.71 0.08 OUTLIER Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.669 -1.372 . . . . 10.0 109.669 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 t -101.57 50.88 0.84 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.462 -1.022 . . . . 10.0 110.035 179.691 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.98 32.85 4.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 10.0 110.431 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.7 mt -112.43 -34.67 5.8 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.271 -0.893 . . . . 10.0 110.609 179.928 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -43.48 98.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.362 -0.836 . . . . 10.0 110.488 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -65.17 -37.59 87.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.334 -0.854 . . . . 10.0 110.197 179.563 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.42 -46.81 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.446 -0.784 . . . . 10.0 109.371 179.519 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -60.09 -35.2 74.67 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.546 -0.721 . . . . 10.0 109.831 179.03 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.71 -47.57 84.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.637 -0.664 . . . . 10.0 109.811 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -64.53 -38.12 89.9 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.44 -0.787 . . . . 10.0 109.5 179.033 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.37 -33.31 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.489 -0.757 . . . . 10.0 109.146 178.84 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.0 t -62.4 -36.38 82.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 10.0 109.607 178.913 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -45.29 70.41 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 178.948 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.0 -32.13 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.734 -0.604 . . . . 10.0 109.663 178.856 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -39.03 84.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.575 -0.703 . . . . 10.0 109.935 179.495 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.99 -43.57 98.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.614 -0.678 . . . . 10.0 109.517 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -35.99 62.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.662 178.737 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.27 -46.1 62.32 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.639 -0.663 . . . . 10.0 109.909 179.497 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -62.36 -44.87 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.69 -0.631 . . . . 10.0 110.016 179.394 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -67.36 -40.14 85.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.488 -0.757 . . . . 10.0 109.679 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -56.58 -47.34 79.73 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.335 0.588 . . . . 10.0 109.639 179.118 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -34.3 77.75 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.87 -0.519 . . . . 10.0 110.442 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -38.43 91.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.36 -0.837 . . . . 10.0 110.029 179.683 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.56 74.89 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.644 -0.66 . . . . 10.0 109.97 179.442 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.51 69.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.54 -0.725 . . . . 10.0 110.029 179.582 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -65.55 -31.12 72.0 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.561 -0.712 . . . . 10.0 110.357 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.8 ttm -117.87 77.22 11.63 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.373 -0.83 . . . . 10.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.15 -169.67 0.78 Allowed 'Trans proline' 0 C--N 1.316 -1.179 0 O-C-N 123.779 1.41 . . . . 10.0 110.731 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.27 57.48 4.48 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.442 -0.786 . . . . 10.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.964 -1.017 . . . . 10.0 110.22 -179.914 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.916 0.388 . . . . 10.0 110.426 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.84 156.68 7.26 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.604 -1.399 . . . . 10.0 109.604 -179.931 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.8 p -143.26 168.21 20.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.476 -1.014 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -57.63 -32.17 66.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.503 -0.748 . . . . 10.0 110.494 179.549 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -43.17 98.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.285 -0.884 . . . . 10.0 109.827 179.368 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -27.24 69.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.523 -0.735 . . . . 10.0 110.163 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.05 -40.77 62.6 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.426 -0.796 . . . . 10.0 109.691 179.178 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.9 mt -72.92 -28.86 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.552 -0.718 . . . . 10.0 110.258 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.674 ' HA ' HD12 ' A' ' 12' ' ' ILE . 5.3 m95 -55.0 -46.15 75.13 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.404 -0.81 . . . . 10.0 110.687 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.61 -43.35 99.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.898 . . . . 10.0 109.395 179.18 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.41 -41.02 88.54 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.609 -0.682 . . . . 10.0 109.822 179.081 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 9' ' ' TRP . 44.5 mt -60.73 -37.26 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.418 -0.801 . . . . 10.0 109.415 179.008 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.35 -39.66 81.78 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.584 -0.698 . . . . 10.0 109.773 179.058 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -40.57 97.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 10.0 109.975 179.492 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.91 -38.78 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.675 -0.641 . . . . 10.0 109.487 179.312 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -61.9 -39.61 92.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.505 -0.747 . . . . 10.0 109.41 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -62.57 -43.26 99.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.547 -0.721 . . . . 10.0 109.279 178.858 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' HG22 ' A' ' 21' ' ' THR . 6.3 t70 -71.14 -45.28 63.88 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.596 -0.69 . . . . 10.0 109.546 178.902 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -35.41 16.83 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.586 -0.696 . . . . 10.0 110.364 179.693 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -47.42 77.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.352 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 18' ' ' ASP . 9.7 t -82.49 -29.0 30.81 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.271 -0.893 . . . . 10.0 110.154 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -61.06 -46.84 89.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 10.0 109.309 178.884 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.92 -43.29 96.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.893 -0.504 . . . . 10.0 110.097 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -34.32 77.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.547 -0.721 . . . . 10.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.45 78.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.507 -0.746 . . . . 10.0 110.138 179.199 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -82.86 -7.74 59.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.405 -0.81 . . . . 10.0 110.622 179.25 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.5 -145.37 0.1 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.408 -0.807 . . . . 10.0 110.041 179.845 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.63 0.24 Allowed Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 110.598 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -75.91 -89.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.831 1.438 . . . . 10.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -98.47 -17.89 18.51 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.271 -0.893 . . . . 10.0 110.426 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.287 -0.864 . . . . 10.0 110.342 179.754 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.127 0.489 . . . . 10.0 110.425 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.77 146.58 40.34 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.565 -1.414 . . . . 10.0 109.565 179.793 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.76 117.14 31.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.503 -0.998 . . . . 10.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.75 -0.64 29.1 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.559 -0.713 . . . . 10.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.53 -49.97 69.17 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.227 -0.921 . . . . 10.0 110.232 179.858 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -64.15 -33.58 76.11 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.544 -0.723 . . . . 10.0 109.807 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.18 -39.13 91.65 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.703 -0.623 . . . . 10.0 110.115 179.21 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -79.88 -46.14 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.412 -0.805 . . . . 10.0 109.928 179.543 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' ILE . 19.3 t-105 -59.18 -42.67 91.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.732 . . . . 10.0 110.569 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.96 -43.22 91.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.499 -0.751 . . . . 10.0 109.911 179.495 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.408 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 85.0 t90 -66.38 -39.85 89.33 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.449 -0.782 . . . . 10.0 109.91 179.149 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 9' ' ' TRP . 58.1 mt -60.45 -34.97 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.335 -0.853 . . . . 10.0 109.597 179.378 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.47 -38.26 68.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.521 -0.737 . . . . 10.0 110.156 179.243 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -44.65 83.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.385 -0.822 . . . . 10.0 110.003 179.558 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 87.5 t -63.0 -33.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.648 -0.658 . . . . 10.0 109.851 179.249 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.8 tp -61.9 -50.51 71.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.513 -0.742 . . . . 10.0 109.516 179.413 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.22 -38.3 90.57 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.553 -0.717 . . . . 10.0 109.228 178.872 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.479 ' O ' HG22 ' A' ' 21' ' ' THR . 2.8 t70 -66.23 -41.05 90.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.654 -0.654 . . . . 10.0 109.507 178.953 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -36.1 74.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.382 -0.824 . . . . 10.0 109.535 178.912 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -62.66 -43.41 98.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.724 -0.61 . . . . 10.0 110.153 179.354 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 18' ' ' ASP . 13.9 t -82.26 -26.35 33.26 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 10.0 110.058 179.346 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' HE3' HD12 ' A' ' 23' ' ' LEU . 42.5 t90 -61.55 -48.12 82.43 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.307 -0.87 . . . . 10.0 109.329 178.979 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 mp -65.09 -34.87 79.44 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.86 -0.525 . . . . 10.0 109.912 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -67.18 -32.49 73.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.486 -0.759 . . . . 10.0 109.849 179.159 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.5 58.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.525 -0.734 . . . . 10.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HE2' HD23 ' A' ' 27' ' ' LEU . 10.7 ptmt -69.76 -31.86 70.05 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.43 -0.794 . . . . 10.0 110.524 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD23 ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -109.04 71.61 0.78 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 10.0 109.739 179.78 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.25 150.03 76.71 Favored Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.611 -0.681 . . . . 10.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -74.13 -177.25 3.11 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.832 1.438 . . . . 10.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -117.99 138.83 51.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.463 -0.773 . . . . 10.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.927 -1.035 . . . . 10.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 120.773 0.321 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.58 177.89 34.88 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.896 -1.282 . . . . 10.0 109.896 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.42 105.49 5.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.422 -1.046 . . . . 10.0 110.064 179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -10.6 15.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.366 -0.834 . . . . 10.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 5' ' ' LEU . 3.0 mm? -58.22 -47.45 83.47 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.134 -0.979 . . . . 10.0 110.121 179.78 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -35.81 76.84 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.825 . . . . 10.0 109.75 179.237 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.71 -39.55 84.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.626 -0.672 . . . . 10.0 110.073 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 8' ' ' ILE . 22.7 mm -57.4 -38.09 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.444 -0.785 . . . . 10.0 110.112 179.66 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.555 ' HA ' HD12 ' A' ' 12' ' ' ILE . 37.8 t-105 -56.9 -43.04 80.96 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.377 -0.827 . . . . 10.0 109.711 179.273 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.44 -38.21 84.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.598 -0.689 . . . . 10.0 109.333 178.746 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -64.91 -36.49 84.53 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.584 -0.698 . . . . 10.0 109.766 179.074 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 9' ' ' TRP . 45.8 mt -63.08 -36.1 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.374 -0.829 . . . . 10.0 109.235 179.002 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -70.64 -33.42 70.96 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.57 -0.706 . . . . 10.0 109.93 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -36.93 80.29 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 10.0 110.03 179.318 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.0 t -80.0 -19.24 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.694 -0.629 . . . . 10.0 110.287 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.17 -40.62 67.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.422 -0.799 . . . . 10.0 111.0 -179.715 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 p -60.26 -43.42 96.17 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.313 -0.867 . . . . 10.0 110.024 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.46 -40.4 85.34 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.555 -0.716 . . . . 10.0 109.712 179.128 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.06 71.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.493 -0.754 . . . . 10.0 109.347 178.867 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -42.48 99.07 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.668 -0.645 . . . . 10.0 109.454 178.817 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -74.73 -39.54 61.81 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.473 -0.767 . . . . 10.0 109.291 178.985 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -57.88 -48.75 78.93 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.324 0.583 . . . . 10.0 109.529 178.945 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.26 -34.72 79.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.93 -0.481 . . . . 10.0 110.563 179.739 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.7 -43.98 97.81 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.237 -0.915 . . . . 10.0 110.24 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.56 73.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.615 -0.678 . . . . 10.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -72.9 -14.59 61.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.464 -0.773 . . . . 10.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.43 37.14 0.9 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.166 -0.959 . . . . 10.0 110.758 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 30.3 ttp -111.06 114.31 53.94 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.208 -0.933 . . . . 10.0 109.885 179.664 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -72.4 175.6 9.83 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.83 1.437 . . . . 10.0 111.268 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -48.48 5.24 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.621 -0.674 . . . . 10.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 118.207 -0.901 . . . . 10.0 110.883 -179.861 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.96 -126.05 35.96 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.784 -1.326 . . . . 10.0 109.784 179.965 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -86.14 84.75 7.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.494 -1.003 . . . . 10.0 109.714 179.617 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -97.78 11.68 36.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.462 -0.774 . . . . 10.0 111.081 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.0 tt -66.64 -41.22 88.62 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.044 -1.035 . . . . 10.0 109.823 179.534 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -75.64 -30.86 59.6 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.386 -0.821 . . . . 10.0 109.194 178.67 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -36.46 84.14 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.811 -0.556 . . . . 10.0 110.41 179.467 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 5' ' ' LEU . 4.8 tt -64.34 -32.66 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.417 -0.802 . . . . 10.0 110.54 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.469 ' HA ' HD12 ' A' ' 12' ' ' ILE . 18.1 t-105 -59.84 -38.88 83.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.381 -0.824 . . . . 10.0 110.469 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.15 -47.27 85.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.529 -0.732 . . . . 10.0 110.07 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.5 -39.35 88.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.46 -0.775 . . . . 10.0 109.865 179.294 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 9' ' ' TRP . 50.8 mt -58.23 -36.93 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.409 -0.807 . . . . 10.0 109.222 179.042 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.3 t -70.09 -34.67 73.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.619 -0.676 . . . . 10.0 109.576 178.747 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.52 -38.05 89.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.55 -0.719 . . . . 10.0 109.854 179.144 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.63 -34.88 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.643 -0.661 . . . . 10.0 109.626 179.344 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.73 -50.22 74.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.495 -0.753 . . . . 10.0 109.526 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -67.58 -36.13 80.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.509 -0.744 . . . . 10.0 109.52 178.806 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.39 -44.63 90.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.614 -0.679 . . . . 10.0 109.752 179.166 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -36.5 73.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.559 -0.713 . . . . 10.0 109.435 178.91 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.75 -38.62 91.78 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.757 -0.589 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -71.66 -36.63 70.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.448 -0.782 . . . . 10.0 109.665 179.124 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.77 -52.87 63.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.593 -0.692 . . . . 10.0 109.411 179.292 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.56 -36.79 85.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.939 -0.475 . . . . 10.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -69.45 -43.14 73.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.513 -0.742 . . . . 10.0 109.806 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.39 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.524 -0.735 . . . . 10.0 110.3 179.357 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -27.9 65.57 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.327 -0.858 . . . . 10.0 110.456 179.595 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.04 -18.56 34.0 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.367 -0.833 . . . . 10.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.548 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 64.9 mmm -57.46 -53.71 62.63 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.315 -0.866 . . . . 10.0 111.202 -179.622 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 28' ' ' MET . 46.4 Cg_endo -74.15 -94.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.042 0 O-C-N 123.371 1.195 . . . . 10.0 110.56 179.891 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.16 -43.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.109 -0.994 . . . . 10.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.932 -1.032 . . . . 10.0 110.063 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.064 0.459 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.66 -143.65 21.71 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.585 -1.406 . . . . 10.0 109.585 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p 38.24 50.23 1.4 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.024 -0.691 . . . . 10.0 111.516 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.467 ' CZ2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -109.59 -155.16 0.55 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.349 -0.845 . . . . 10.0 110.043 179.692 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt 69.91 -63.86 0.37 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.591 -0.693 . . . . 10.0 110.151 -179.34 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -40.98 89.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.269 -0.894 . . . . 10.0 109.57 179.054 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.85 -33.46 62.13 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 10.0 110.015 179.177 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.467 HD11 ' CZ2' ' A' ' 4' ' ' TRP . 39.4 mm -62.93 -45.21 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.421 -0.8 . . . . 10.0 109.83 179.606 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -57.89 -38.56 76.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.452 -0.78 . . . . 10.0 109.391 178.991 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.89 -39.52 69.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.661 -0.649 . . . . 10.0 109.663 178.995 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -63.08 -44.52 95.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.529 -0.732 . . . . 10.0 109.961 179.405 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.04 -37.21 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.742 . . . . 10.0 109.524 179.204 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 t -72.66 -36.72 68.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 10.0 109.943 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -38.13 89.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.439 -0.788 . . . . 10.0 110.051 179.389 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.4 t -72.19 -27.62 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.513 -0.742 . . . . 10.0 109.839 179.216 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -41.19 40.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 10.0 110.731 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -65.35 -46.88 78.42 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.343 -0.848 . . . . 10.0 110.17 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.81 -33.68 74.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.522 -0.736 . . . . 10.0 110.244 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -38.01 55.27 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.654 -0.654 . . . . 10.0 110.045 179.277 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.41 -49.01 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 10.0 109.683 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 m -65.07 -38.42 90.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.553 -0.717 . . . . 10.0 109.962 179.469 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.435 ' HE3' HD12 ' A' ' 23' ' ' LEU . 19.9 t90 -55.2 -50.56 69.09 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.572 -0.705 . . . . 10.0 109.645 179.179 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD12 ' HE3' ' A' ' 22' ' ' TRP . 1.5 mp -67.58 -39.51 84.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.801 -0.562 . . . . 10.0 110.209 179.394 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -65.37 -39.05 91.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.535 -0.728 . . . . 10.0 110.231 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.5 69.02 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.541 -0.724 . . . . 10.0 110.49 179.569 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -90.25 -28.89 18.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.285 -0.884 . . . . 10.0 110.624 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.38 -41.97 12.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.306 -0.871 . . . . 10.0 110.702 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.1 mtm -99.92 112.47 63.94 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 110.398 -179.856 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -78.0 -171.99 1.36 Allowed 'Trans proline' 0 C--N 1.315 -1.19 0 O-C-N 123.804 1.423 . . . . 10.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -90.49 -174.51 4.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.427 -0.796 . . . . 10.0 110.252 179.673 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 CA-C-O 117.835 -1.079 . . . . 10.0 110.197 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 121.094 0.473 . . . . 10.0 110.461 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.54 -141.28 3.15 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.749 -1.341 . . . . 10.0 109.749 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -82.16 94.88 7.35 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.509 -0.995 . . . . 10.0 110.186 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 3.95 24.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.333 -0.854 . . . . 10.0 111.053 -180.0 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.96 -50.81 63.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.132 -0.98 . . . . 10.0 109.675 179.461 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -35.4 80.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.514 -0.741 . . . . 10.0 109.644 179.001 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.01 -50.74 71.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.566 -0.708 . . . . 10.0 109.854 179.274 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.36 -52.29 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.704 -0.622 . . . . 10.0 110.072 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.483 ' HA ' HD12 ' A' ' 12' ' ' ILE . 17.6 t-105 -57.7 -40.0 78.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.513 -0.742 . . . . 10.0 110.625 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.18 -45.94 91.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.652 -0.655 . . . . 10.0 109.912 179.517 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -63.44 -40.83 98.2 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.496 -0.753 . . . . 10.0 109.884 179.273 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 9' ' ' TRP . 43.4 mt -61.25 -36.34 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.502 -0.749 . . . . 10.0 109.6 179.274 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -68.41 -38.74 81.54 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.539 -0.726 . . . . 10.0 110.02 179.29 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -34.43 78.07 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.513 -0.742 . . . . 10.0 110.259 179.649 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.56 -29.51 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.599 -0.688 . . . . 10.0 110.409 179.742 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.13 -56.38 22.51 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.456 -0.778 . . . . 10.0 110.106 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -64.58 -36.66 84.94 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.416 -0.803 . . . . 10.0 109.717 179.321 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.04 -37.99 89.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.687 . . . . 10.0 110.015 179.294 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -41.44 60.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.519 -0.738 . . . . 10.0 109.732 179.481 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -62.06 -48.64 79.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.818 -0.552 . . . . 10.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -72.75 -32.44 65.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.373 -0.829 . . . . 10.0 110.265 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -56.75 -50.27 72.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.524 -0.735 . . . . 10.0 109.384 179.085 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -40.39 96.62 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 120.518 -0.473 . . . . 10.0 109.83 179.199 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -64.94 -39.9 94.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.515 -0.741 . . . . 10.0 109.783 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.5 -24.44 63.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.513 -0.742 . . . . 10.0 110.258 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.68 -45.89 67.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.38 -0.825 . . . . 10.0 110.486 179.753 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -101.54 119.81 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.397 -0.815 . . . . 10.0 110.278 179.925 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.62 82.44 14.07 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.582 -0.698 . . . . 10.0 110.152 179.963 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -75.07 -176.7 3.02 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 O-C-N 123.758 1.399 . . . . 10.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -127.23 84.41 2.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.546 -0.722 . . . . 10.0 109.832 179.731 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.892 -1.052 . . . . 10.0 110.233 -179.915 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.933 0.397 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.74 -161.94 27.42 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.577 -1.409 . . . . 10.0 109.577 -179.844 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -105.03 21.6 16.8 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.417 -1.049 . . . . 10.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -102.92 -31.92 10.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.108 -0.995 . . . . 10.0 110.585 179.872 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -37.24 71.1 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.42 -0.8 . . . . 10.0 110.247 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -55.48 -41.64 73.27 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.427 -0.796 . . . . 10.0 109.819 179.172 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' N ' ' HD3' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -78.99 -38.53 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.66 -0.65 . . . . 10.0 110.211 179.842 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.732 HD11 ' CE3' ' A' ' 4' ' ' TRP . 57.7 mt -66.46 -50.27 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.444 -0.785 . . . . 10.0 109.93 179.862 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -60.23 -34.71 74.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.494 -0.754 . . . . 10.0 109.796 179.333 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.56 -48.18 82.92 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.65 -0.656 . . . . 10.0 109.816 179.18 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -68.47 -40.55 80.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.452 -0.78 . . . . 10.0 109.537 179.057 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.5 -36.19 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.493 -0.754 . . . . 10.0 109.104 178.885 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 t -65.44 -37.58 87.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.482 -0.761 . . . . 10.0 109.413 178.645 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -48.1 80.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.59 -0.694 . . . . 10.0 109.275 178.753 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.3 -34.15 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.913 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.06 -38.4 73.2 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.584 -0.697 . . . . 10.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -44.34 87.82 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.4 -0.813 . . . . 10.0 109.491 179.39 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.83 -43.3 46.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.578 -0.701 . . . . 10.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -42.72 69.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.701 -0.624 . . . . 10.0 109.766 179.456 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -60.23 -43.54 95.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.668 -0.645 . . . . 10.0 109.985 179.166 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -74.26 -39.9 62.7 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.39 -0.819 . . . . 10.0 109.696 179.246 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -57.5 -51.01 71.21 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.669 -0.645 . . . . 10.0 109.449 179.08 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -36.18 81.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.879 -0.513 . . . . 10.0 109.963 179.244 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -59.79 -35.76 75.33 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.486 -0.759 . . . . 10.0 110.209 179.421 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.38 57.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.458 -0.776 . . . . 10.0 110.601 179.645 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -42.05 13.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 10.0 110.493 -179.96 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.75 145.84 50.2 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.397 -0.814 . . . . 10.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.658 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 7.1 ttt -171.1 -58.57 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.408 -0.808 . . . . 10.0 110.846 179.775 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 45.5 Cg_endo -71.52 -174.14 1.17 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.104 1.055 . . . . 10.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 56.39 58.85 3.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.676 -0.64 . . . . 10.0 110.383 179.917 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.532 -1.223 . . . . 10.0 110.477 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.53 -43.71 80.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.438 -0.789 . . . . 10.0 110.185 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.0 p -71.58 -38.79 70.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.466 -0.771 . . . . 10.0 110.033 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.37 -38.81 85.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -30.12 65.6 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.293 -0.88 . . . . 10.0 109.994 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -34.58 25.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 10.0 110.825 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -85.61 -43.63 13.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.141 -0.974 . . . . 10.0 110.886 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -54.67 -51.04 66.75 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.403 -0.811 . . . . 10.0 110.008 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.794 -0.566 . . . . 10.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -75.42 -44.78 42.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.27 -0.894 . . . . 10.0 110.381 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.94 68.37 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.666 -0.646 . . . . 10.0 111.008 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 tttp . . . . . 0 N--CA 1.498 1.938 0 O-C-N 121.333 -0.854 . . . . 10.0 110.717 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 109.953 -0.388 . . . . 10.0 109.953 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.62 -49.41 76.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.437 -0.789 . . . . 10.0 109.372 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -65.57 -37.78 87.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.612 -0.68 . . . . 10.0 109.302 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.19 -40.98 94.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.726 -0.609 . . . . 10.0 109.596 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -44.34 61.61 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.667 -0.646 . . . . 10.0 109.892 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.45 96.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.732 -0.605 . . . . 10.0 109.853 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -74.54 -36.85 63.15 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.391 -0.818 . . . . 10.0 110.076 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -54.89 -49.79 70.34 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.562 -0.711 . . . . 10.0 109.718 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -37.32 80.51 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.869 -0.519 . . . . 10.0 110.172 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -65.4 -42.57 92.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.408 -0.808 . . . . 10.0 109.859 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.95 -10.28 59.3 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.495 -0.753 . . . . 10.0 110.829 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 tptt . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.095 -1.003 . . . . 10.0 110.302 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.51 82.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.582 -0.699 . . . . 10.0 109.761 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -60.03 -43.91 94.98 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.594 -0.692 . . . . 10.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.05 -32.93 61.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.675 -0.641 . . . . 10.0 109.751 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.61 -42.06 32.9 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.601 -0.687 . . . . 10.0 110.181 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -62.23 -39.21 92.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.699 -0.626 . . . . 10.0 110.217 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -84.02 -39.99 18.96 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.358 -0.839 . . . . 10.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.55 -46.58 80.63 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.751 . . . . 10.0 109.629 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.2 mm? -61.57 -42.26 98.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.6 . . . . 10.0 109.791 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.86 -37.05 81.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.366 -0.834 . . . . 10.0 109.711 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.71 81.56 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 10.0 110.362 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.1 tttt . . . . . 0 N--CA 1.498 1.967 0 O-C-N 121.3 -0.875 . . . . 10.0 110.428 179.655 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 121.103 0.478 . . . . 10.0 109.954 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 tp -76.65 -42.46 41.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.376 -0.827 . . . . 10.0 110.109 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -40.99 76.51 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.429 -0.795 . . . . 10.0 110.111 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.75 -31.69 73.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.516 -0.74 . . . . 10.0 110.353 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -44.04 52.45 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.386 -0.821 . . . . 10.0 109.955 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.11 -45.68 90.85 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.748 -0.595 . . . . 10.0 109.919 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -69.89 -37.93 76.17 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.415 -0.803 . . . . 10.0 110.219 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -53.77 -50.17 66.63 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.626 -0.671 . . . . 10.0 109.694 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.08 -39.73 90.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.876 -0.515 . . . . 10.0 110.071 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -64.6 -41.85 95.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.45 -0.781 . . . . 10.0 109.962 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.84 82.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.603 -0.686 . . . . 10.0 110.456 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 10.0 110.505 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.498 1.973 0 CA-C-O 121.039 0.447 . . . . 10.0 109.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.4 tm? -74.25 -41.96 60.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.53 -0.731 . . . . 10.0 109.77 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -69.4 -40.1 77.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.478 -0.764 . . . . 10.0 110.325 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 21' ' ' THR . 16.1 t70 -70.19 -39.28 75.31 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.386 -0.821 . . . . 10.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -37.26 62.57 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.234 -0.916 . . . . 10.0 110.341 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.86 -39.92 94.32 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.543 -0.723 . . . . 10.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 18' ' ' ASP . 9.3 t -87.66 -27.07 22.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.126 -0.984 . . . . 10.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.558 ' HE3' HD12 ' A' ' 23' ' ' LEU . 38.0 t90 -60.15 -51.68 68.55 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.18 -0.95 . . . . 10.0 109.255 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' HE3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -62.01 -38.77 89.88 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 120.479 -0.488 . . . . 10.0 110.103 179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -64.39 -40.75 96.42 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.532 -0.73 . . . . 10.0 109.93 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.46 73.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.709 . . . . 10.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.413 -0.804 . . . . 10.0 110.163 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 64.6 t . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.86 -46.23 37.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 10.0 110.182 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -66.66 -40.45 88.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.372 -0.83 . . . . 10.0 109.791 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.9 -31.97 68.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.652 -0.655 . . . . 10.0 109.889 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -51.3 -45.3 62.13 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.769 . . . . 10.0 110.195 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -47.67 78.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.601 -0.687 . . . . 10.0 110.784 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 p -68.87 -36.4 78.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.208 -0.933 . . . . 10.0 109.944 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -58.38 -49.13 78.34 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.514 -0.741 . . . . 10.0 109.13 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -33.41 73.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.866 -0.521 . . . . 10.0 110.204 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -70.25 -16.49 63.04 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.101 -0.999 . . . . 10.0 110.594 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.1 -31.78 9.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.297 -0.877 . . . . 10.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.213 -0.929 . . . . 10.0 111.56 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.734 -0.469 . . . . 10.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -58.43 -50.99 71.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.541 -0.724 . . . . 10.0 110.312 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -63.36 -39.1 93.62 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 10.0 109.464 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -43.38 87.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.654 -0.654 . . . . 10.0 109.404 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.93 -37.43 63.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.535 -0.728 . . . . 10.0 109.799 179.138 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -33.7 76.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 10.0 110.263 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.37 -41.97 10.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.242 -0.911 . . . . 10.0 109.94 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.53 -48.71 76.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.694 -0.629 . . . . 10.0 109.815 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.0 mm? -64.62 -39.05 93.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.742 -0.599 . . . . 10.0 109.958 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.91 -37.05 83.63 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.48 -0.762 . . . . 10.0 109.883 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -31.97 65.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.576 -0.703 . . . . 10.0 110.434 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.386 -0.821 . . . . 10.0 110.483 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.67 0.271 . . . . 10.0 110.39 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.33 92.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.368 -0.832 . . . . 10.0 110.081 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.5 t -69.4 -40.24 77.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.32 -0.862 . . . . 10.0 109.818 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.14 -34.7 68.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.583 -0.698 . . . . 10.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -43.96 14.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.374 -0.829 . . . . 10.0 110.801 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -66.77 -42.74 85.58 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.6 -0.688 . . . . 10.0 110.157 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -75.38 -41.61 55.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.345 -0.847 . . . . 10.0 110.094 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -56.14 -49.47 73.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 10.0 109.8 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.26 -38.86 92.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.866 -0.521 . . . . 10.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -72.25 -42.33 65.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.302 -0.874 . . . . 10.0 110.161 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.53 71.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.504 -0.748 . . . . 10.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.279 -0.888 . . . . 10.0 110.409 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 110.095 -0.335 . . . . 10.0 110.095 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -49.16 78.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 10.0 109.758 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -37.12 70.63 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.385 -0.822 . . . . 10.0 109.527 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.05 -36.21 83.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.574 -0.704 . . . . 10.0 109.895 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -37.98 48.17 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 10.0 110.481 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -61.52 -36.05 79.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.269 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -90.81 -42.25 10.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.389 -0.819 . . . . 10.0 109.973 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -55.32 -46.69 76.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.751 -0.593 . . . . 10.0 110.209 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.9 mm? -65.78 -40.54 92.08 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.674 -0.641 . . . . 10.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -70.1 -38.77 75.74 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.382 -0.824 . . . . 10.0 109.939 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.26 66.78 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.637 -0.664 . . . . 10.0 110.897 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 N--CA 1.497 1.887 0 O-C-N 121.266 -0.896 . . . . 10.0 110.766 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 109.827 -0.434 . . . . 10.0 109.827 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -44.06 83.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.665 -0.647 . . . . 10.0 110.683 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -61.59 -44.28 97.31 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.466 -0.771 . . . . 10.0 109.723 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.89 -38.0 82.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.582 -0.699 . . . . 10.0 109.482 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -40.77 69.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.652 -0.655 . . . . 10.0 109.266 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -61.69 -45.51 93.66 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -67.86 -38.83 83.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.424 -0.798 . . . . 10.0 109.597 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -56.13 -48.42 76.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.603 -0.685 . . . . 10.0 109.658 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.68 -41.37 94.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.812 -0.555 . . . . 10.0 110.136 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -68.96 -38.26 79.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.429 -0.794 . . . . 10.0 109.764 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.34 90.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.599 -0.688 . . . . 10.0 109.998 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.444 -0.785 . . . . 10.0 110.403 179.498 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -46.92 88.15 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.489 -0.757 . . . . 10.0 109.758 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -74.57 -36.11 63.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 10.0 109.446 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.17 -33.29 75.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.716 -0.615 . . . . 10.0 110.308 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -42.57 26.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.502 -0.749 . . . . 10.0 110.46 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -39.2 89.4 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.64 -0.663 . . . . 10.0 110.196 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.94 -36.35 41.8 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 10.0 109.867 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -54.11 -50.84 65.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.626 -0.671 . . . . 10.0 109.537 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.75 -38.9 87.53 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.815 -0.553 . . . . 10.0 110.19 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -39.82 94.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 10.0 110.088 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.89 -22.87 49.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.443 -0.786 . . . . 10.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tptm . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.186 -0.946 . . . . 10.0 110.742 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 109.679 -0.489 . . . . 10.0 109.679 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.04 -43.97 97.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.349 -0.844 . . . . 10.0 109.892 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -78.0 -39.93 40.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 10.0 109.688 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.54 -25.71 66.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.527 -0.733 . . . . 10.0 110.357 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -36.19 63.01 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.344 -0.848 . . . . 10.0 110.101 179.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -67.14 -36.13 81.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.48 -0.762 . . . . 10.0 110.366 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -89.21 -41.95 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.256 -0.902 . . . . 10.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -57.8 -48.02 80.92 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.489 -0.757 . . . . 10.0 110.089 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.7 mm? -61.1 -41.92 97.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.685 -0.634 . . . . 10.0 110.387 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -73.6 -34.22 64.96 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.26 -0.9 . . . . 10.0 110.099 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -24.97 65.0 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.562 -0.711 . . . . 10.0 110.737 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.789 0 O-C-N 121.3 -0.875 . . . . 10.0 110.667 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.89 -37.74 80.25 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.576 -0.703 . . . . 10.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.67 87.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.337 -0.852 . . . . 10.0 109.354 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.45 -32.98 70.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.629 -0.669 . . . . 10.0 109.464 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 t80 -49.89 -40.59 43.46 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.535 -0.728 . . . . 10.0 109.793 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.97 -45.1 75.11 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.659 -0.65 . . . . 10.0 110.131 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 4.9 m -72.54 -44.16 62.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.514 -0.741 . . . . 10.0 110.517 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.34 96.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.292 -0.88 . . . . 10.0 109.914 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.603 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.7 mm? -66.83 -37.48 84.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.671 -0.643 . . . . 10.0 111.067 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -70.84 -25.35 62.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.05 -1.031 . . . . 10.0 110.553 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . -80.71 -32.7 35.75 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.215 -0.928 . . . . 10.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.956 0 O-C-N 121.479 -0.763 . . . . 10.0 111.241 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.735 -0.468 . . . . 10.0 109.735 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -42.53 86.33 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.668 -0.645 . . . . 10.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 p -62.05 -44.96 95.56 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.312 -0.867 . . . . 10.0 109.953 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.3 -40.71 90.19 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.628 -0.67 . . . . 10.0 109.667 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -36.92 75.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.56 -0.713 . . . . 10.0 109.548 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.74 95.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.74 -0.6 . . . . 10.0 109.881 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -70.11 -36.36 74.79 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 10.0 109.68 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -58.47 -48.45 80.74 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.606 -0.684 . . . . 10.0 109.484 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.23 -37.42 72.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.933 -0.48 . . . . 10.0 110.127 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -40.14 94.82 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.475 -0.766 . . . . 10.0 109.867 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 -33.42 59.64 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.508 -0.745 . . . . 10.0 110.055 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 tptt . . . . . 0 N--CA 1.495 1.806 0 O-C-N 121.403 -0.811 . . . . 10.0 110.432 179.868 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 109.841 -0.429 . . . . 10.0 109.841 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.78 -42.85 81.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.438 -0.789 . . . . 10.0 110.227 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -75.02 -41.11 59.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.498 -0.751 . . . . 10.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.43 -24.55 62.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.395 -0.816 . . . . 10.0 110.542 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.09 44.61 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.226 -0.921 . . . . 10.0 110.178 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.33 -47.96 68.98 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.604 -0.685 . . . . 10.0 110.205 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 p -72.79 -36.39 67.6 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.32 -0.863 . . . . 10.0 110.409 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' HE3' HD12 ' A' ' 23' ' ' LEU . 73.2 t90 -55.72 -51.89 65.79 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.715 . . . . 10.0 109.613 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' HE3' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -60.49 -40.31 90.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.814 -0.554 . . . . 10.0 110.454 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -69.37 -39.88 77.77 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.271 -0.893 . . . . 10.0 109.988 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.86 68.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.547 -0.721 . . . . 10.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tttm . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.447 -0.783 . . . . 10.0 110.721 -179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 120.893 0.378 . . . . 10.0 110.022 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.27 -41.52 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.494 -0.754 . . . . 10.0 109.917 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -40.58 98.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.453 -0.78 . . . . 10.0 109.786 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.48 -33.06 74.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 10.0 109.894 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -34.14 24.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.389 -0.819 . . . . 10.0 109.846 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.57 75.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.631 -0.668 . . . . 10.0 109.521 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -77.8 -33.09 52.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.479 -0.763 . . . . 10.0 110.176 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -57.37 -49.82 74.93 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.517 -0.74 . . . . 10.0 109.489 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -41.08 97.13 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.741 -0.599 . . . . 10.0 109.89 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -67.92 -34.72 77.16 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.567 -0.708 . . . . 10.0 109.922 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.64 68.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.599 -0.688 . . . . 10.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.003 0 O-C-N 121.374 -0.828 . . . . 10.0 110.198 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 120.942 0.401 . . . . 10.0 109.945 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -44.22 95.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.803 . . . . 10.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 p -58.07 -40.72 81.73 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 109.927 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.13 -37.84 53.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.536 -0.728 . . . . 10.0 109.603 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -48.78 12.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.748 -0.595 . . . . 10.0 110.579 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -63.71 -43.56 96.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.551 -0.718 . . . . 10.0 110.412 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 m -70.87 -38.18 73.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.326 -0.859 . . . . 10.0 109.955 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -54.47 -48.24 72.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.62 -0.675 . . . . 10.0 109.861 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -43.86 90.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.781 -0.574 . . . . 10.0 110.421 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -40.05 84.69 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.492 -0.755 . . . . 10.0 110.239 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -26.82 67.33 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.537 -0.727 . . . . 10.0 110.552 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttt . . . . . 0 N--CA 1.497 1.901 0 O-C-N 121.324 -0.86 . . . . 10.0 110.703 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.924 0.392 . . . . 10.0 110.119 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.96 -48.08 72.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 10.0 110.306 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.65 83.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.31 -0.869 . . . . 10.0 110.083 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -35.52 78.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.558 -0.714 . . . . 10.0 110.141 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -48.61 41.21 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.533 -0.729 . . . . 10.0 110.381 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -63.53 -44.82 93.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 10.0 110.356 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 m -70.17 -37.78 75.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.407 -0.808 . . . . 10.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -54.91 -50.18 69.43 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.719 . . . . 10.0 109.607 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.86 -41.67 95.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.815 -0.553 . . . . 10.0 110.33 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -66.55 -45.24 80.06 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.39 -0.819 . . . . 10.0 110.345 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.72 73.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.402 -0.811 . . . . 10.0 110.545 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.957 0 O-C-N 121.395 -0.816 . . . . 10.0 110.558 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.2 t . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 109.657 -0.497 . . . . 10.0 109.657 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 10.0 109.42 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -67.91 -38.15 82.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.597 -0.689 . . . . 10.0 109.145 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.05 -42.28 89.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 10.0 109.737 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.15 -47.66 23.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.779 -0.576 . . . . 10.0 110.137 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.27 -46.58 86.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.582 -0.699 . . . . 10.0 109.993 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.79 -35.49 77.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.534 -0.729 . . . . 10.0 110.146 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -56.7 -47.48 79.82 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.646 -0.659 . . . . 10.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.94 -44.21 96.7 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.912 -0.492 . . . . 10.0 110.015 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -66.54 -41.3 88.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.8 . . . . 10.0 109.999 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.35 -29.46 68.19 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.529 -0.732 . . . . 10.0 110.359 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.346 -0.846 . . . . 10.0 110.687 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 94.5 t . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.12 -33.84 75.22 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.449 -0.782 . . . . 10.0 110.411 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.2 -36.39 13.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.37 -0.831 . . . . 10.0 110.094 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.17 -31.78 70.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.27 -0.894 . . . . 10.0 110.502 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -49.72 -44.58 48.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.447 -0.783 . . . . 10.0 109.98 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -61.98 -44.84 95.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.922 -0.486 . . . . 10.0 110.052 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -71.34 -40.2 70.85 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.436 -0.79 . . . . 10.0 109.994 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -56.33 -46.99 79.66 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.512 -0.743 . . . . 10.0 109.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -40.03 87.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.738 -0.601 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -70.87 -44.25 66.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.901 . . . . 10.0 110.172 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.5 94.87 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.596 -0.69 . . . . 10.0 110.284 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tttp . . . . . 0 N--CA 1.498 1.968 0 O-C-N 121.381 -0.825 . . . . 10.0 110.084 179.487 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 N--CA 1.499 2.01 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.19 98.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.461 -0.775 . . . . 10.0 109.655 179.265 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -76.05 -39.95 54.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.452 -0.78 . . . . 10.0 109.649 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.96 -29.98 69.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.604 -0.685 . . . . 10.0 110.535 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -39.83 32.14 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.34 -0.85 . . . . 10.0 110.196 179.497 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -45.91 77.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.595 -0.69 . . . . 10.0 110.455 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 p -75.69 -42.52 50.81 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 10.0 110.258 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -54.5 -54.11 45.42 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.699 -0.625 . . . . 10.0 109.9 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.06 -31.4 71.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.752 -0.593 . . . . 10.0 110.512 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -69.51 -33.7 73.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.158 -0.964 . . . . 10.0 109.955 179.324 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.86 -46.16 46.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.734 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.419 -0.8 . . . . 10.0 110.376 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.0 t . . . . . 0 N--CA 1.497 1.918 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -37.84 74.42 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.59 -0.694 . . . . 10.0 110.097 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -61.18 -45.97 92.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.598 -0.689 . . . . 10.0 109.492 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -43.02 74.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.649 -0.657 . . . . 10.0 109.258 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -40.42 60.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.816 -0.552 . . . . 10.0 109.966 179.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -57.72 -43.47 85.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.647 -0.658 . . . . 10.0 109.812 179.183 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 -37.94 34.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 179.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -56.34 -50.4 71.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.43 -34.46 78.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.831 -0.543 . . . . 10.0 110.409 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -34.26 77.38 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.288 -0.883 . . . . 10.0 110.116 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.81 -33.6 68.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.391 -0.818 . . . . 10.0 110.017 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm . . . . . 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 10.0 110.49 -179.996 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.83 -40.41 88.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 10.0 109.842 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -43.13 98.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.52 -0.737 . . . . 10.0 109.41 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.27 -37.64 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.64 -0.663 . . . . 10.0 109.461 178.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -41.81 35.55 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.669 -0.644 . . . . 10.0 110.271 179.603 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -42.92 98.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.187 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.67 -44.81 16.63 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.436 -0.79 . . . . 10.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -46.43 67.74 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.562 -0.711 . . . . 10.0 110.085 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 -43.61 98.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.725 -0.61 . . . . 10.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -70.1 -34.96 73.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -0.841 . . . . 10.0 109.817 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.97 -16.54 61.79 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.768 -0.582 . . . . 10.0 110.889 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 O-C-N 121.24 -0.913 . . . . 10.0 110.485 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.8 t . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -38.17 79.24 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.731 -0.606 . . . . 10.0 109.516 178.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -46.93 85.28 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.45 -41.77 84.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.609 -0.682 . . . . 10.0 109.412 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -42.01 64.6 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.681 -0.637 . . . . 10.0 109.997 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -59.3 -38.1 79.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.649 -0.657 . . . . 10.0 110.371 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -87.39 -39.57 15.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.323 -0.861 . . . . 10.0 110.088 179.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -57.75 -46.02 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.541 -0.724 . . . . 10.0 109.974 179.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.0 mm? -64.94 -41.11 95.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.705 -0.622 . . . . 10.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.4 -32.12 66.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.332 -0.855 . . . . 10.0 110.052 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.18 75.32 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.43 -0.794 . . . . 10.0 110.188 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tttm . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.383 -0.823 . . . . 10.0 110.589 179.913 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.5 t . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.52 -43.95 76.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.293 -0.879 . . . . 10.0 109.765 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 t -64.32 -39.58 94.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.387 -0.821 . . . . 10.0 109.245 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.81 -36.95 76.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.61 -0.681 . . . . 10.0 109.976 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -41.46 41.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 10.0 110.128 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -59.63 -42.47 92.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.659 -0.651 . . . . 10.0 109.526 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -78.18 -40.55 37.35 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 10.0 109.495 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -54.32 -48.49 71.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.771 -0.581 . . . . 10.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.43 98.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.663 -0.648 . . . . 10.0 109.863 179.378 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -35.54 80.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -0.798 . . . . 10.0 110.056 179.218 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.06 66.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 10.0 110.445 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tptt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.331 -0.856 . . . . 10.0 110.272 179.326 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.613 0.244 . . . . 10.0 110.664 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.44 -46.32 37.51 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.362 -0.837 . . . . 10.0 110.468 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.6 p -73.14 -40.43 64.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.301 -0.874 . . . . 10.0 109.721 178.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.53 -34.45 72.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.746 -0.596 . . . . 10.0 110.399 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -38.9 56.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.454 -0.778 . . . . 10.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -60.17 -42.73 95.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.439 -0.788 . . . . 10.0 110.224 179.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.76 18.63 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -0.772 . . . . 10.0 110.379 179.729 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -49.89 75.59 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 10.0 109.886 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.22 -34.31 77.37 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.672 -0.643 . . . . 10.0 109.955 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -39.38 94.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.359 -0.838 . . . . 10.0 109.718 179.19 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 -22.74 58.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.544 -0.722 . . . . 10.0 110.57 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.983 0 O-C-N 121.283 -0.886 . . . . 10.0 111.212 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.7 -40.08 71.91 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.621 -0.674 . . . . 10.0 110.194 179.643 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -61.79 -43.58 98.56 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.468 -0.77 . . . . 10.0 109.556 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -72.02 -34.92 69.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.457 -0.777 . . . . 10.0 109.392 178.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -39.97 63.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 10.0 109.581 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -47.84 83.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.29 -38.18 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.589 -0.694 . . . . 10.0 109.765 179.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -54.75 -49.26 71.26 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.701 -0.624 . . . . 10.0 109.562 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.07 -34.2 77.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.846 -0.534 . . . . 10.0 110.07 179.323 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.46 -39.43 87.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.464 -0.772 . . . . 10.0 109.897 179.233 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.31 -28.1 59.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 10.0 110.074 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tttt . . . . . 0 N--CA 1.499 1.976 0 O-C-N 121.468 -0.77 . . . . 10.0 110.866 179.573 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 N--CA 1.499 1.977 0 N-CA-C 109.469 -0.567 . . . . 10.0 109.469 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.75 -43.81 97.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -62.15 -40.81 97.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.575 -0.703 . . . . 10.0 109.609 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.586 -0.696 . . . . 10.0 109.617 179.204 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -40.39 74.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.695 -0.628 . . . . 10.0 109.578 179.01 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -63.26 -42.1 99.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.766 -0.584 . . . . 10.0 109.551 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -70.68 -36.1 73.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.741 . . . . 10.0 109.649 179.195 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 26' ' ' LYS . 2.1 t90 -54.84 -49.2 71.66 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.803 -0.56 . . . . 10.0 109.802 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -71.88 -37.06 70.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.772 -0.58 . . . . 10.0 110.063 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -39.78 94.92 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.305 -0.872 . . . . 10.0 109.676 179.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.576 -0.703 . . . . 10.0 110.061 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 22' ' ' TRP . 8.8 mtpt . . . . . 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.326 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.37 -36.0 79.01 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.592 -0.693 . . . . 10.0 109.761 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -70.68 -44.04 67.85 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.428 -0.795 . . . . 10.0 109.149 178.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.06 -27.08 68.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.577 -0.702 . . . . 10.0 109.842 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -35.18 63.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.37 -0.831 . . . . 10.0 109.61 178.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -59.0 -49.27 78.54 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 10.0 109.154 178.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -39.75 75.84 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.431 -0.793 . . . . 10.0 109.089 178.401 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -56.73 -51.83 67.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 10.0 109.62 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -34.81 74.58 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.786 -0.571 . . . . 10.0 110.039 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -36.36 80.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.435 -0.79 . . . . 10.0 109.847 179.23 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.73 -28.85 33.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.544 -0.723 . . . . 10.0 109.762 178.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.541 -0.724 . . . . 10.0 110.571 179.217 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 120.801 0.334 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.89 -46.1 71.29 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.386 -0.821 . . . . 10.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -60.77 -43.36 98.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 10.0 109.876 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.12 -33.65 65.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.521 -0.737 . . . . 10.0 109.979 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -45.25 61.96 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.605 -0.684 . . . . 10.0 110.172 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -44.18 94.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.606 -0.684 . . . . 10.0 109.98 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -68.8 -38.49 79.99 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.524 -0.735 . . . . 10.0 109.906 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.693 . . . . 10.0 109.666 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.75 -37.08 70.58 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.832 -0.543 . . . . 10.0 110.57 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -70.44 -34.95 73.05 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 10.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.4 -10.19 54.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.97 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 10.0 110.798 -179.69 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 120.968 0.413 . . . . 10.0 109.914 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.52 -45.2 89.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.509 -0.745 . . . . 10.0 110.667 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -61.67 -40.85 96.41 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.391 -0.818 . . . . 10.0 109.95 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.27 -40.02 71.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.449 -0.782 . . . . 10.0 109.4 178.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -37.53 71.01 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 10.0 109.486 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -57.8 -45.55 85.91 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.772 -0.58 . . . . 10.0 109.549 178.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -70.44 -34.8 72.88 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.474 -0.766 . . . . 10.0 109.772 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -55.26 -49.51 71.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.595 -0.69 . . . . 10.0 109.506 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.84 -36.13 79.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 109.999 179.244 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -44.23 92.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.438 -0.788 . . . . 10.0 109.882 179.37 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.5 78.46 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.688 -0.632 . . . . 10.0 110.212 179.41 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tttm . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.504 -0.747 . . . . 10.0 110.143 179.428 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -45.37 92.9 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.558 -0.714 . . . . 10.0 110.26 179.695 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -62.29 -41.04 98.16 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.356 -0.84 . . . . 10.0 109.6 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.57 -42.55 78.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.615 -0.678 . . . . 10.0 109.695 179.04 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.82 -44.62 49.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.709 -0.619 . . . . 10.0 110.42 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -37.4 87.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.711 -0.618 . . . . 10.0 110.549 179.732 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 m -82.88 -33.78 26.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -56.64 -49.51 74.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.595 -0.691 . . . . 10.0 109.603 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -35.53 80.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.806 -0.559 . . . . 10.0 110.179 179.443 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.13 -32.39 63.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.387 -0.821 . . . . 10.0 110.7 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.8 -34.5 19.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.358 -0.839 . . . . 10.0 111.008 -179.558 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm . . . . . 0 N--CA 1.496 1.863 0 O-C-N 121.236 -0.915 . . . . 10.0 110.964 -179.483 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 120.628 0.252 . . . . 10.0 110.508 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.9 -45.67 78.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.46 -0.775 . . . . 10.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.5 -0.75 . . . . 10.0 109.778 179.512 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.14 -44.35 80.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.485 -0.759 . . . . 10.0 109.517 179.063 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.16 -41.98 28.36 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.697 -0.627 . . . . 10.0 110.328 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.26 -42.57 98.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.588 -0.695 . . . . 10.0 110.542 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -84.57 -40.16 17.89 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 10.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -56.43 -44.2 80.16 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.577 -0.702 . . . . 10.0 110.141 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.6 mm? -66.82 -37.62 84.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.812 -0.555 . . . . 10.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -77.94 -35.84 49.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.194 -0.941 . . . . 10.0 110.245 179.648 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.5 61.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 tttp . . . . . 0 N--CA 1.497 1.913 0 O-C-N 121.236 -0.915 . . . . 10.0 110.624 -179.862 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.44 -44.28 97.4 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.491 -0.755 . . . . 10.0 109.803 179.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -64.45 -39.46 93.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.61 -0.681 . . . . 10.0 109.276 178.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.81 -40.58 79.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.599 -0.688 . . . . 10.0 109.341 178.715 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -44.07 67.19 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.703 -0.623 . . . . 10.0 109.412 179.236 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -62.5 -46.69 87.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.738 -0.602 . . . . 10.0 109.585 178.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -65.69 -39.68 91.51 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.567 -0.708 . . . . 10.0 109.933 179.234 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -54.99 -48.01 73.87 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.622 -0.673 . . . . 10.0 109.496 179.226 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.43 -41.21 89.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.88 -0.513 . . . . 10.0 110.133 179.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.59 -41.94 92.28 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.428 -0.795 . . . . 10.0 109.995 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.89 81.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.519 -0.738 . . . . 10.0 110.399 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.407 -0.808 . . . . 10.0 110.509 179.752 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 121.133 0.492 . . . . 10.0 109.725 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -47.15 76.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.569 -0.707 . . . . 10.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -62.9 -35.88 81.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.36 -0.838 . . . . 10.0 110.11 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.66 -44.75 85.35 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.446 -0.783 . . . . 10.0 109.596 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -38.06 74.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.692 -0.63 . . . . 10.0 109.736 178.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -42.17 99.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.672 -0.642 . . . . 10.0 109.724 179.286 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -77.15 -33.08 56.7 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.502 -0.749 . . . . 10.0 109.875 179.343 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -55.18 -49.64 71.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.536 -0.727 . . . . 10.0 109.481 179.164 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.86 -38.68 89.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.891 -0.506 . . . . 10.0 110.007 179.219 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -63.18 -42.03 99.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.469 -0.769 . . . . 10.0 109.845 179.34 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.12 80.57 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.602 -0.686 . . . . 10.0 110.014 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.513 -0.742 . . . . 10.0 110.21 179.562 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 120.936 0.398 . . . . 10.0 109.946 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.68 -45.32 85.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.455 -0.778 . . . . 10.0 109.948 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -35.96 61.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.535 -0.728 . . . . 10.0 109.541 178.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.6 -37.14 86.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.645 -0.659 . . . . 10.0 110.315 179.539 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -41.39 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.507 -0.746 . . . . 10.0 110.895 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -67.51 -46.46 72.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.44 -0.788 . . . . 10.0 110.4 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 p -75.1 -34.11 61.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.26 -0.9 . . . . 10.0 110.355 179.769 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -56.09 -50.11 71.93 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.486 -0.759 . . . . 10.0 109.682 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.44 -40.7 96.24 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 120.358 -0.537 . . . . 10.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.99 -39.53 93.6 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.505 -0.747 . . . . 10.0 109.866 179.313 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.16 62.31 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.549 -0.719 . . . . 10.0 110.335 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.433 -0.792 . . . . 10.0 110.564 -179.954 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -39.39 73.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.59 -0.694 . . . . 10.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -61.75 -44.24 97.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.511 -0.743 . . . . 10.0 109.664 179.379 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.402 ' O ' HG22 ' A' ' 21' ' ' THR . 7.2 t70 -72.54 -45.82 57.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 10.0 109.637 179.08 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -37.42 11.65 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.574 -0.704 . . . . 10.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.28 90.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.461 -0.774 . . . . 10.0 110.356 179.56 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' ASP . 11.2 t -87.26 -31.23 20.37 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.312 -0.867 . . . . 10.0 110.022 179.353 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -59.41 -50.46 73.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.494 -0.754 . . . . 10.0 109.008 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.7 -39.71 91.52 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.97 -0.456 . . . . 10.0 109.83 179.185 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -62.2 -44.32 96.84 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.088 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.58 80.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.719 . . . . 10.0 109.91 179.498 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mptt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 10.0 110.371 179.477 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.03 -44.58 91.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 10.0 109.613 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -67.0 -36.49 82.27 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.721 . . . . 10.0 109.296 178.738 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.49 -40.82 69.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.567 -0.708 . . . . 10.0 110.012 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.96 46.15 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.65 -0.657 . . . . 10.0 110.179 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -46.32 90.28 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.689 -0.632 . . . . 10.0 109.664 179.242 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -71.59 -35.93 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.783 . . . . 10.0 109.929 179.458 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.41 -47.59 81.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.534 -0.729 . . . . 10.0 109.525 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -40.93 93.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.931 -0.48 . . . . 10.0 110.288 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -40.69 61.92 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.314 -0.866 . . . . 10.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.35 93.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.49 -0.756 . . . . 10.0 109.993 179.572 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tttm . . . . . 0 N--CA 1.496 1.833 0 O-C-N 121.488 -0.758 . . . . 10.0 110.053 179.171 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -44.78 95.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.539 -0.726 . . . . 10.0 110.387 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -60.82 -44.36 97.0 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.462 -0.774 . . . . 10.0 109.853 179.536 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.93 -40.04 79.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.446 -0.784 . . . . 10.0 109.753 179.179 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -43.34 20.09 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.587 -0.696 . . . . 10.0 110.489 179.728 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -43.94 97.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.579 -0.701 . . . . 10.0 110.157 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -78.11 -41.04 36.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.358 -0.839 . . . . 10.0 110.164 179.657 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -57.67 -41.6 81.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.5 -0.75 . . . . 10.0 110.233 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -19.85 59.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.673 -0.642 . . . . 10.0 111.363 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -99.55 -37.79 9.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.008 -1.058 . . . . 10.0 110.817 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.93 -11.35 60.1 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.273 -0.892 . . . . 10.0 111.394 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 O-C-N 120.949 -1.094 . . . . 10.0 110.497 -179.793 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 109.619 -0.511 . . . . 10.0 109.619 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -52.25 65.58 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 10.0 109.799 179.502 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -66.06 -38.08 87.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.478 -0.764 . . . . 10.0 109.348 178.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.691 -0.63 . . . . 10.0 109.636 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -43.33 83.93 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.837 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -44.52 94.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.778 -0.576 . . . . 10.0 109.451 179.067 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.7 m -68.37 -35.42 77.69 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.544 -0.722 . . . . 10.0 109.724 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -56.84 -47.59 80.0 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.647 -0.658 . . . . 10.0 109.357 179.019 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.44 -42.91 99.5 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -66.3 -37.51 85.58 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.477 -0.764 . . . . 10.0 109.714 179.076 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.64 64.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.536 -0.728 . . . . 10.0 110.22 179.293 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.358 -0.839 . . . . 10.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -45.43 91.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -65.66 -41.37 92.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.402 -0.811 . . . . 10.0 109.316 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.06 -44.77 83.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.695 -0.628 . . . . 10.0 109.699 179.074 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -38.48 63.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.703 -0.623 . . . . 10.0 109.893 179.457 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -40.19 96.76 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.544 -0.723 . . . . 10.0 109.891 179.097 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -81.28 -36.45 29.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.339 -0.85 . . . . 10.0 109.677 179.366 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -56.44 -50.09 72.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.617 -0.677 . . . . 10.0 109.28 179.05 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.14 -39.51 94.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.86 -0.525 . . . . 10.0 110.052 179.203 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -38.92 90.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.41 -0.806 . . . . 10.0 109.837 179.28 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.69 88.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.509 -0.744 . . . . 10.0 110.308 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.418 -0.802 . . . . 10.0 110.441 179.811 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 109.719 -0.474 . . . . 10.0 109.719 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.1 tm? -59.92 -40.48 89.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.62 -0.675 . . . . 10.0 109.917 179.271 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -45.88 90.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.422 -0.798 . . . . 10.0 109.465 178.918 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.66 -33.5 66.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.645 -0.659 . . . . 10.0 109.557 178.679 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.42 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.71 -34.9 65.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 10.0 109.309 178.87 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -59.87 -42.92 94.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.694 -0.629 . . . . 10.0 109.506 178.842 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -38.31 32.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.544 -0.722 . . . . 10.0 109.38 178.896 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -58.34 -50.19 74.53 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.672 -0.643 . . . . 10.0 109.556 179.073 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -36.09 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.876 -0.515 . . . . 10.0 110.239 179.474 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.26 -39.12 92.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.232 -0.918 . . . . 10.0 110.145 179.663 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.5 88.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.487 -0.758 . . . . 10.0 110.188 179.366 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 tptp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.423 -0.798 . . . . 10.0 110.362 179.528 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 109.515 -0.55 . . . . 10.0 109.515 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -61.5 -43.75 98.31 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.482 -0.761 . . . . 10.0 109.039 178.919 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 t -70.22 -38.61 75.28 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.616 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.81 -30.42 69.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.75 -0.593 . . . . 10.0 110.577 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -33.16 20.58 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.296 -0.878 . . . . 10.0 110.451 179.604 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.52 19.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.497 -0.752 . . . . 10.0 109.975 179.207 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -74.28 -42.47 59.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.346 -0.846 . . . . 10.0 110.767 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -55.78 -49.84 72.07 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.406 -0.809 . . . . 10.0 110.075 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.91 -30.98 67.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.712 -0.617 . . . . 10.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.13 -42.66 62.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.448 -0.782 . . . . 10.0 109.879 179.379 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -26.81 68.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.762 . . . . 10.0 110.501 179.383 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt . . . . . 0 N--CA 1.498 1.954 0 O-C-N 121.466 -0.771 . . . . 10.0 110.307 179.66 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 109.663 -0.495 . . . . 10.0 109.663 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -39.03 84.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.575 -0.703 . . . . 10.0 109.935 179.495 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.99 -43.57 98.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.614 -0.678 . . . . 10.0 109.517 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -35.99 62.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.662 178.737 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.27 -46.1 62.32 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.639 -0.663 . . . . 10.0 109.909 179.497 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -62.36 -44.87 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.69 -0.631 . . . . 10.0 110.016 179.394 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -67.36 -40.14 85.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.488 -0.757 . . . . 10.0 109.679 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -56.58 -47.34 79.73 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.335 0.588 . . . . 10.0 109.639 179.118 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -34.3 77.75 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.87 -0.519 . . . . 10.0 110.442 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -38.43 91.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.36 -0.837 . . . . 10.0 110.029 179.683 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.56 74.89 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.644 -0.66 . . . . 10.0 109.97 179.442 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.54 -0.725 . . . . 10.0 110.029 179.582 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.487 -0.56 . . . . 10.0 109.487 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -61.9 -39.61 92.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.505 -0.747 . . . . 10.0 109.41 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -62.57 -43.26 99.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.547 -0.721 . . . . 10.0 109.279 178.858 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' HG22 ' A' ' 21' ' ' THR . 6.3 t70 -71.14 -45.28 63.88 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.596 -0.69 . . . . 10.0 109.546 178.902 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -35.41 16.83 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.586 -0.696 . . . . 10.0 110.364 179.693 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -47.42 77.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.352 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 18' ' ' ASP . 9.7 t -82.49 -29.0 30.81 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.271 -0.893 . . . . 10.0 110.154 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -61.06 -46.84 89.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 10.0 109.309 178.884 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.92 -43.29 96.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.893 -0.504 . . . . 10.0 110.097 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -34.32 77.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.547 -0.721 . . . . 10.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.45 78.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.507 -0.746 . . . . 10.0 110.138 179.199 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.405 -0.81 . . . . 10.0 110.622 179.25 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 109.851 -0.426 . . . . 10.0 109.851 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.8 tp -61.9 -50.51 71.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.513 -0.742 . . . . 10.0 109.516 179.413 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.22 -38.3 90.57 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.553 -0.717 . . . . 10.0 109.228 178.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.479 ' O ' HG22 ' A' ' 21' ' ' THR . 2.8 t70 -66.23 -41.05 90.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.654 -0.654 . . . . 10.0 109.507 178.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -36.1 74.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.382 -0.824 . . . . 10.0 109.535 178.912 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -62.66 -43.41 98.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.724 -0.61 . . . . 10.0 110.153 179.354 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 18' ' ' ASP . 13.9 t -82.26 -26.35 33.26 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 10.0 110.058 179.346 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' HE3' HD12 ' A' ' 23' ' ' LEU . 42.5 t90 -61.55 -48.12 82.43 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.307 -0.87 . . . . 10.0 109.329 178.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 mp -65.09 -34.87 79.44 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.86 -0.525 . . . . 10.0 109.912 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -67.18 -32.49 73.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.486 -0.759 . . . . 10.0 109.849 179.159 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.5 58.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.525 -0.734 . . . . 10.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 10.7 ptmt . . . . . 0 N--CA 1.499 1.999 0 O-C-N 121.43 -0.794 . . . . 10.0 110.524 179.787 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.0 t . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 120.953 0.406 . . . . 10.0 110.287 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.17 -40.62 67.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.422 -0.799 . . . . 10.0 111.0 -179.715 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 p -60.26 -43.42 96.17 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.313 -0.867 . . . . 10.0 110.024 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.46 -40.4 85.34 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.555 -0.716 . . . . 10.0 109.712 179.128 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.06 71.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.493 -0.754 . . . . 10.0 109.347 178.867 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -42.48 99.07 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.668 -0.645 . . . . 10.0 109.454 178.817 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -74.73 -39.54 61.81 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.473 -0.767 . . . . 10.0 109.291 178.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -57.88 -48.75 78.93 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.324 0.583 . . . . 10.0 109.529 178.945 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.26 -34.72 79.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.93 -0.481 . . . . 10.0 110.563 179.739 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.7 -43.98 97.81 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.237 -0.915 . . . . 10.0 110.24 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.56 73.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.615 -0.678 . . . . 10.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.464 -0.773 . . . . 10.0 111.085 179.826 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.5 t . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.73 -50.22 74.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.495 -0.753 . . . . 10.0 109.526 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -67.58 -36.13 80.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.509 -0.744 . . . . 10.0 109.52 178.806 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.39 -44.63 90.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.614 -0.679 . . . . 10.0 109.752 179.166 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -36.5 73.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.559 -0.713 . . . . 10.0 109.435 178.91 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.75 -38.62 91.78 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.757 -0.589 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -71.66 -36.63 70.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.448 -0.782 . . . . 10.0 109.665 179.124 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.77 -52.87 63.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.593 -0.692 . . . . 10.0 109.411 179.292 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.56 -36.79 85.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.939 -0.475 . . . . 10.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -69.45 -43.14 73.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.513 -0.742 . . . . 10.0 109.806 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.39 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.524 -0.735 . . . . 10.0 110.3 179.357 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.828 0 O-C-N 121.327 -0.858 . . . . 10.0 110.456 179.595 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 121.065 0.46 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -41.19 40.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 10.0 110.731 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -65.35 -46.88 78.42 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.343 -0.848 . . . . 10.0 110.17 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.81 -33.68 74.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.522 -0.736 . . . . 10.0 110.244 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -38.01 55.27 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.654 -0.654 . . . . 10.0 110.045 179.277 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.41 -49.01 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 10.0 109.683 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 m -65.07 -38.42 90.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.553 -0.717 . . . . 10.0 109.962 179.469 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.435 ' HE3' HD12 ' A' ' 23' ' ' LEU . 19.9 t90 -55.2 -50.56 69.09 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.572 -0.705 . . . . 10.0 109.645 179.179 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD12 ' HE3' ' A' ' 22' ' ' TRP . 1.5 mp -67.58 -39.51 84.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.801 -0.562 . . . . 10.0 110.209 179.394 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -65.37 -39.05 91.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.535 -0.728 . . . . 10.0 110.231 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.5 69.02 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.541 -0.724 . . . . 10.0 110.49 179.569 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.285 -0.884 . . . . 10.0 110.624 179.975 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 N--CA 1.497 1.89 0 CA-C-O 120.707 0.289 . . . . 10.0 110.409 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.13 -56.38 22.51 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.456 -0.778 . . . . 10.0 110.106 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -64.58 -36.66 84.94 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.416 -0.803 . . . . 10.0 109.717 179.321 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.04 -37.99 89.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.687 . . . . 10.0 110.015 179.294 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -41.44 60.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.519 -0.738 . . . . 10.0 109.732 179.481 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -62.06 -48.64 79.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.818 -0.552 . . . . 10.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -72.75 -32.44 65.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.373 -0.829 . . . . 10.0 110.265 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -56.75 -50.27 72.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.524 -0.735 . . . . 10.0 109.384 179.085 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -40.39 96.62 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 120.518 -0.473 . . . . 10.0 109.83 179.199 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -64.94 -39.9 94.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.515 -0.741 . . . . 10.0 109.783 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.5 -24.44 63.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.513 -0.742 . . . . 10.0 110.258 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptt . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.38 -0.825 . . . . 10.0 110.486 179.753 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.06 -38.4 73.2 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.584 -0.697 . . . . 10.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -44.34 87.82 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.4 -0.813 . . . . 10.0 109.491 179.39 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.83 -43.3 46.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.578 -0.701 . . . . 10.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -42.72 69.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.701 -0.624 . . . . 10.0 109.766 179.456 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -60.23 -43.54 95.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.668 -0.645 . . . . 10.0 109.985 179.166 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -74.26 -39.9 62.7 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.39 -0.819 . . . . 10.0 109.696 179.246 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -57.5 -51.01 71.21 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.669 -0.645 . . . . 10.0 109.449 179.08 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -36.18 81.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.879 -0.513 . . . . 10.0 109.963 179.244 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -59.79 -35.76 75.33 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.486 -0.759 . . . . 10.0 110.209 179.421 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.38 57.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.458 -0.776 . . . . 10.0 110.601 179.645 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 10.0 110.493 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 121.1 0.476 . . . . 10.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.11 -85.88 1.79 Allowed Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.551 -1.42 . . . . 10.0 109.551 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -97.96 113.55 25.43 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.439 -1.036 . . . . 10.0 110.195 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.481 ' CE3' HD12 ' A' ' 8' ' ' ILE . 3.4 t90 -117.59 -54.94 2.33 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.488 -0.757 . . . . 10.0 110.438 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.27 -10.8 59.9 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.382 -0.824 . . . . 10.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.01 -47.63 4.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.158 -0.964 . . . . 10.0 109.975 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.494 ' HB2' ' HB3' ' A' ' 3' ' ' SER . 6.2 t70 -66.54 -41.07 89.26 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.529 -0.732 . . . . 10.0 110.24 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.481 HD12 ' CE3' ' A' ' 4' ' ' TRP . 96.2 mt -75.06 -19.37 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.309 -0.869 . . . . 10.0 110.466 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -44.88 94.83 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.194 -0.942 . . . . 10.0 110.514 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.82 -40.94 97.02 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.328 -0.857 . . . . 10.0 109.664 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -66.58 -43.35 85.18 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.512 -0.743 . . . . 10.0 109.712 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.1 mt -59.01 -33.08 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.495 -0.753 . . . . 10.0 109.675 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t -71.99 -39.26 69.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.501 -0.749 . . . . 10.0 110.082 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.05 -37.23 81.06 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.4 -0.812 . . . . 10.0 110.245 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -67.91 -34.15 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.523 -0.736 . . . . 10.0 109.626 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.53 -43.71 80.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.438 -0.789 . . . . 10.0 110.185 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.0 p -71.58 -38.79 70.89 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.466 -0.771 . . . . 10.0 110.033 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -67.37 -38.81 85.35 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.769 . . . . 10.0 110.128 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.88 -30.12 65.6 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.293 -0.88 . . . . 10.0 109.994 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -34.58 25.49 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 10.0 110.825 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 p -85.61 -43.63 13.3 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.141 -0.974 . . . . 10.0 110.886 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -54.67 -51.04 66.75 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.403 -0.811 . . . . 10.0 110.008 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.64 -33.98 76.83 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.794 -0.566 . . . . 10.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -75.42 -44.78 42.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.27 -0.894 . . . . 10.0 110.381 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.94 68.37 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.666 -0.646 . . . . 10.0 111.008 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -60.51 -44.81 95.6 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.333 -0.854 . . . . 10.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tp -114.65 -165.68 1.04 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.31 -0.868 . . . . 10.0 110.348 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.03 150.78 0.12 Allowed Pre-proline 0 N--CA 1.505 2.311 0 O-C-N 121.842 -0.536 . . . . 10.0 111.211 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -74.72 -83.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 O-C-N 123.744 1.391 . . . . 10.0 110.59 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -79.78 108.93 13.72 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.226 -0.921 . . . . 10.0 109.628 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.502 2.132 0 CA-C-O 118.761 -0.638 . . . . 10.0 110.3 -179.509 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 120.995 0.426 . . . . 10.0 110.102 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -101.8 146.74 17.22 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.623 -1.391 . . . . 10.0 109.623 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t -79.89 136.74 36.74 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.431 -1.041 . . . . 10.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -108.33 -42.83 4.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.402 -0.811 . . . . 10.0 110.726 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.71 -49.83 69.76 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.46 -0.775 . . . . 10.0 110.577 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm-85 -61.3 -37.82 84.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.324 -0.86 . . . . 10.0 110.041 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -59.7 -39.39 84.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.682 -0.636 . . . . 10.0 110.238 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.8 mt -80.6 -30.73 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.356 -0.84 . . . . 10.0 110.328 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -56.61 -47.66 79.16 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.423 -0.798 . . . . 10.0 110.517 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -61.74 -39.86 93.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.458 -0.776 . . . . 10.0 109.786 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -63.92 -40.77 97.24 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.588 -0.695 . . . . 10.0 109.802 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.5 mt -60.35 -37.45 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.397 -0.815 . . . . 10.0 109.43 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.4 t -70.72 -35.49 72.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 10.0 110.23 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.93 -43.38 75.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.304 -0.873 . . . . 10.0 110.267 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.26 -37.53 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.562 -0.712 . . . . 10.0 109.953 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.62 -49.41 76.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.437 -0.789 . . . . 10.0 109.372 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.3 m -65.57 -37.78 87.67 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.612 -0.68 . . . . 10.0 109.302 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.19 -40.98 94.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.726 -0.609 . . . . 10.0 109.596 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.21 -44.34 61.61 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.667 -0.646 . . . . 10.0 109.892 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -41.45 96.51 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.732 -0.605 . . . . 10.0 109.853 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -74.54 -36.85 63.15 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.391 -0.818 . . . . 10.0 110.076 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -54.89 -49.79 70.34 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.562 -0.711 . . . . 10.0 109.718 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.3 -37.32 80.51 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.869 -0.519 . . . . 10.0 110.172 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -65.4 -42.57 92.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.408 -0.808 . . . . 10.0 109.859 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.95 -10.28 59.3 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.495 -0.753 . . . . 10.0 110.829 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -99.38 -52.7 3.43 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.095 -1.003 . . . . 10.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -124.48 131.05 53.49 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.377 -0.827 . . . . 10.0 110.309 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.648 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 3.4 ttt -161.61 -61.89 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.664 -0.648 . . . . 10.0 110.716 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 49.9 Cg_endo -73.84 -175.19 1.99 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 O-C-N 123.11 1.058 . . . . 10.0 111.072 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.05 -167.68 0.12 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-O 121.274 0.559 . . . . 10.0 110.937 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 117.957 -1.02 . . . . 10.0 110.281 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.083 0.468 . . . . 10.0 110.391 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.26 -58.39 4.69 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.071 -1.611 . . . . 10.0 109.071 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -81.66 154.52 26.06 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.506 -0.996 . . . . 10.0 109.896 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -111.43 -41.33 4.14 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.469 -0.769 . . . . 10.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.8 mt -83.46 -53.74 5.48 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.33 -0.856 . . . . 10.0 110.338 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -60.73 -36.5 79.04 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.486 -0.759 . . . . 10.0 110.592 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.09 -41.69 97.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.522 -0.737 . . . . 10.0 110.556 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 12' ' ' ILE . 64.3 mt -80.0 -35.79 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.269 -0.895 . . . . 10.0 110.084 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' HA ' HD12 ' A' ' 12' ' ' ILE . 19.1 t-105 -56.6 -50.61 71.47 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.512 -0.742 . . . . 10.0 110.534 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -44.8 90.17 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.492 -0.755 . . . . 10.0 109.782 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.4 t90 -61.31 -39.44 90.49 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.546 -0.721 . . . . 10.0 110.29 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 9' ' ' TRP . 37.1 mt -59.35 -41.99 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.296 -0.878 . . . . 10.0 109.144 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 t -66.12 -40.13 90.44 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.626 -0.671 . . . . 10.0 109.394 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -61.45 -46.47 89.94 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.578 -0.701 . . . . 10.0 109.4 178.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.21 -35.82 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.51 82.17 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.582 -0.699 . . . . 10.0 109.761 179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -60.03 -43.91 94.98 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.594 -0.692 . . . . 10.0 109.477 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -75.05 -32.93 61.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.675 -0.641 . . . . 10.0 109.751 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -48.61 -42.06 32.9 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.601 -0.687 . . . . 10.0 110.181 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -62.23 -39.21 92.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.699 -0.626 . . . . 10.0 110.217 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 m -84.02 -39.99 18.96 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.358 -0.839 . . . . 10.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.55 -46.58 80.63 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.499 -0.751 . . . . 10.0 109.629 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.2 mm? -61.57 -42.26 98.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.739 -0.6 . . . . 10.0 109.791 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -67.86 -37.05 81.35 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.366 -0.834 . . . . 10.0 109.711 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.71 81.56 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.558 -0.714 . . . . 10.0 110.362 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -68.81 -30.76 69.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.3 -0.875 . . . . 10.0 110.428 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.13 -52.47 5.65 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.351 -0.843 . . . . 10.0 110.338 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.5 tpt -96.82 116.73 66.19 Favored Pre-proline 0 N--CA 1.495 1.8 0 O-C-N 121.391 -0.818 . . . . 10.0 110.221 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -73.71 -176.43 2.56 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 O-C-N 123.908 1.478 . . . . 10.0 111.209 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -132.09 142.46 49.52 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.509 -0.744 . . . . 10.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 117.867 -1.063 . . . . 10.0 110.405 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.877 0.37 . . . . 10.0 110.38 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.84 142.01 3.5 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.578 -1.409 . . . . 10.0 109.578 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 p -102.46 86.2 2.76 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.441 -1.035 . . . . 10.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.623 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -62.34 -35.86 80.41 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.424 -0.797 . . . . 10.0 110.257 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.78 -46.57 84.39 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.552 -0.717 . . . . 10.0 109.995 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -37.63 72.19 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.558 -0.714 . . . . 10.0 109.877 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.82 -39.2 93.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.631 -0.668 . . . . 10.0 109.834 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 4' ' ' TRP . 2.0 mt -76.84 -48.13 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 10.0 109.948 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -57.17 -45.9 83.28 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 10.0 110.058 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.12 -42.83 99.61 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.647 -0.658 . . . . 10.0 110.113 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -60.39 -41.61 94.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.544 -0.722 . . . . 10.0 109.934 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -62.0 -34.44 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.473 -0.767 . . . . 10.0 109.429 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.8 t -69.16 -37.52 78.25 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.516 -0.74 . . . . 10.0 109.99 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.29 -39.62 78.23 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.496 -0.752 . . . . 10.0 110.177 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.43 -33.29 61.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.683 -0.636 . . . . 10.0 109.954 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 tp -76.65 -42.46 41.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.376 -0.827 . . . . 10.0 110.109 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -40.99 76.51 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.429 -0.795 . . . . 10.0 110.111 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -64.75 -31.69 73.03 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.516 -0.74 . . . . 10.0 110.353 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.16 -44.04 52.45 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.386 -0.821 . . . . 10.0 109.955 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -63.11 -45.68 90.85 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.748 -0.595 . . . . 10.0 109.919 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -69.89 -37.93 76.17 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.415 -0.803 . . . . 10.0 110.219 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -53.77 -50.17 66.63 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.626 -0.671 . . . . 10.0 109.694 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mp -66.08 -39.73 90.27 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.876 -0.515 . . . . 10.0 110.071 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.0 tttm -64.6 -41.85 95.95 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.45 -0.781 . . . . 10.0 109.962 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.84 82.33 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.603 -0.686 . . . . 10.0 110.456 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.36 -29.73 66.47 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 10.0 110.505 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.12 48.42 0.87 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.375 -0.828 . . . . 10.0 110.148 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 tpp -124.6 121.1 25.81 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.349 -0.845 . . . . 10.0 110.396 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 30' ' ' GLN . 46.8 Cg_endo -75.33 -178.53 4.3 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 O-C-N 123.815 1.429 . . . . 10.0 110.962 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER 70.19 -65.91 0.3 Allowed 'General case' 0 N--CA 1.503 2.224 0 O-C-N 122.005 -0.435 . . . . 10.0 111.101 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.153 0 CA-C-O 118.197 -0.906 . . . . 10.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 121.006 0.431 . . . . 10.0 110.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.34 -98.16 1.24 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.572 -1.411 . . . . 10.0 109.572 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.27 67.79 1.19 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.484 -1.01 . . . . 10.0 110.134 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.11 77.86 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.373 -0.83 . . . . 10.0 110.447 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -38.77 82.0 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.433 -0.792 . . . . 10.0 110.095 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 -67.93 -40.23 83.37 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.405 -0.809 . . . . 10.0 109.65 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.28 -40.07 73.68 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.696 -0.628 . . . . 10.0 110.306 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mt -78.87 -32.19 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 10.0 110.323 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.563 ' HA ' HD12 ' A' ' 12' ' ' ILE . 63.4 t-105 -52.88 -52.42 57.5 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.492 -0.755 . . . . 10.0 110.665 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.89 -40.47 88.83 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.435 -0.791 . . . . 10.0 109.945 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -63.14 -39.25 94.12 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.496 -0.753 . . . . 10.0 110.091 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 9' ' ' TRP . 36.5 mt -60.92 -38.94 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.424 -0.797 . . . . 10.0 109.17 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.7 t -68.79 -33.02 73.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.675 -0.641 . . . . 10.0 109.747 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -67.79 -44.94 76.21 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.537 -0.727 . . . . 10.0 109.953 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.7 t -59.76 -37.85 73.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.874 -0.516 . . . . 10.0 109.947 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HA ' HD22 ' A' ' 16' ' ' LEU . 2.4 tm? -74.25 -41.96 60.42 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.53 -0.731 . . . . 10.0 109.77 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -69.4 -40.1 77.54 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.478 -0.764 . . . . 10.0 110.325 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' HG22 ' A' ' 21' ' ' THR . 16.1 t70 -70.19 -39.28 75.31 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.386 -0.821 . . . . 10.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -37.26 62.57 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.234 -0.916 . . . . 10.0 110.341 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.86 -39.92 94.32 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.543 -0.723 . . . . 10.0 110.654 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 18' ' ' ASP . 9.3 t -87.66 -27.07 22.69 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.126 -0.984 . . . . 10.0 110.393 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.558 ' HE3' HD12 ' A' ' 23' ' ' LEU . 38.0 t90 -60.15 -51.68 68.55 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.18 -0.95 . . . . 10.0 109.255 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' HE3' ' A' ' 22' ' ' TRP . 1.0 OUTLIER -62.01 -38.77 89.88 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 120.479 -0.488 . . . . 10.0 110.103 179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -64.39 -40.75 96.42 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.532 -0.73 . . . . 10.0 109.93 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.46 73.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.565 -0.709 . . . . 10.0 110.21 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -38.37 65.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.413 -0.804 . . . . 10.0 110.163 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.92 129.81 19.42 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.405 -0.81 . . . . 10.0 110.678 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtm -141.66 82.79 13.66 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.427 -0.796 . . . . 10.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.87 -176.47 2.62 Favored 'Trans proline' 0 C--N 1.313 -1.3 0 O-C-N 123.852 1.449 . . . . 10.0 111.131 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -89.96 176.88 6.64 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.512 -0.743 . . . . 10.0 110.31 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 118.185 -0.912 . . . . 10.0 110.396 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.103 0.478 . . . . 10.0 110.328 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.52 -110.67 2.08 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.344 -1.503 . . . . 10.0 109.344 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 100.22 8.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.5 -1.0 . . . . 10.0 110.057 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.24 -36.44 4.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.454 -0.779 . . . . 10.0 110.552 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.591 ' HA ' HD12 ' A' ' 8' ' ' ILE . 23.2 mt -67.82 -24.85 65.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.459 -0.776 . . . . 10.0 110.682 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -54.76 -47.42 73.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.351 -0.843 . . . . 10.0 110.632 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.02 -35.0 75.72 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.45 -0.781 . . . . 10.0 110.187 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 5' ' ' LEU . 10.7 mt -78.81 -36.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.349 -0.845 . . . . 10.0 110.295 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.56 ' HA ' HD12 ' A' ' 12' ' ' ILE . 4.3 t-105 -55.24 -50.74 68.68 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.42 -0.8 . . . . 10.0 110.465 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -60.95 -42.73 98.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.407 -0.808 . . . . 10.0 109.448 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -59.36 -41.15 88.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.678 -0.639 . . . . 10.0 109.755 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 9' ' ' TRP . 38.5 mt -61.51 -34.64 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.47 -0.769 . . . . 10.0 109.645 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -70.03 -39.91 75.5 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.499 -0.751 . . . . 10.0 110.073 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -36.98 83.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.452 -0.78 . . . . 10.0 110.198 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 64.6 t -66.66 -30.5 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.631 -0.668 . . . . 10.0 109.614 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.86 -46.23 37.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.475 -0.766 . . . . 10.0 110.182 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -66.66 -40.45 88.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.372 -0.83 . . . . 10.0 109.791 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.9 -31.97 68.78 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.652 -0.655 . . . . 10.0 109.889 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -51.3 -45.3 62.13 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.469 -0.769 . . . . 10.0 110.195 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -47.67 78.33 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.601 -0.687 . . . . 10.0 110.784 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 p -68.87 -36.4 78.04 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.208 -0.933 . . . . 10.0 109.944 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 25.6 t90 -58.38 -49.13 78.34 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.514 -0.741 . . . . 10.0 109.13 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.86 -33.41 73.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.866 -0.521 . . . . 10.0 110.204 179.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 28' ' ' MET . 1.7 tttt -70.25 -16.49 63.04 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.101 -0.999 . . . . 10.0 110.594 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.1 -31.78 9.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.297 -0.877 . . . . 10.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -37.2 6.16 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.213 -0.929 . . . . 10.0 111.56 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -80.83 -34.2 34.06 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.125 -0.984 . . . . 10.0 111.032 -179.494 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.489 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -55.48 -52.39 72.19 Favored Pre-proline 0 N--CA 1.502 2.149 0 O-C-N 121.413 -0.805 . . . . 10.0 111.13 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 28' ' ' MET . 45.0 Cg_endo -72.84 -178.1 3.27 Favored 'Trans proline' 0 N--CA 1.486 1.072 0 O-C-N 123.392 1.206 . . . . 10.0 110.932 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -129.42 40.49 3.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.486 -0.759 . . . . 10.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 118.169 -0.919 . . . . 10.0 110.261 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.034 0.445 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.68 78.12 0.24 Allowed Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.562 -1.415 . . . . 10.0 109.562 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.13 43.67 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.5 -1.0 . . . . 10.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.405 ' CE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -111.47 -25.85 9.39 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.397 -0.815 . . . . 10.0 110.596 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 tt -60.91 -42.64 98.46 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.381 -0.825 . . . . 10.0 110.359 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -61.38 -38.56 87.45 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.375 -0.828 . . . . 10.0 110.16 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -65.16 -39.55 93.1 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.57 -0.706 . . . . 10.0 110.607 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.405 HD11 ' CE3' ' A' ' 4' ' ' TRP . 83.6 mt -82.74 -46.65 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.325 -0.859 . . . . 10.0 110.78 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.428 ' HA ' HD12 ' A' ' 12' ' ' ILE . 30.4 t-105 -60.77 -40.25 91.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.24 -0.912 . . . . 10.0 110.672 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.0 -45.04 96.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.321 -0.862 . . . . 10.0 110.025 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.8 t90 -66.33 -37.2 84.81 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.535 -0.728 . . . . 10.0 110.158 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 9' ' ' TRP . 39.0 mt -59.11 -38.48 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.37 -0.831 . . . . 10.0 109.286 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.06 -37.06 66.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.566 -0.709 . . . . 10.0 109.524 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -62.32 -41.86 98.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.662 -0.649 . . . . 10.0 109.966 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.1 -35.49 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.646 -0.659 . . . . 10.0 109.734 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -58.43 -50.99 71.73 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.541 -0.724 . . . . 10.0 110.312 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -63.36 -39.1 93.62 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 10.0 109.464 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.1 -43.38 87.42 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.654 -0.654 . . . . 10.0 109.404 178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.93 -37.43 63.84 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.535 -0.728 . . . . 10.0 109.799 179.138 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -33.7 76.2 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.651 -0.655 . . . . 10.0 110.263 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -92.37 -41.97 10.04 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.242 -0.911 . . . . 10.0 109.94 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.53 -48.71 76.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.694 -0.629 . . . . 10.0 109.815 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 4.0 mm? -64.62 -39.05 93.02 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.742 -0.599 . . . . 10.0 109.958 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.91 -37.05 83.63 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.48 -0.762 . . . . 10.0 109.883 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.65 -31.97 65.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.576 -0.703 . . . . 10.0 110.434 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -64.82 -35.64 81.76 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.386 -0.821 . . . . 10.0 110.483 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -97.58 -178.52 4.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.338 -0.851 . . . . 10.0 110.184 179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.439 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER 68.64 145.19 0.1 Allowed Pre-proline 0 N--CA 1.504 2.228 0 O-C-N 121.934 -0.479 . . . . 10.0 111.004 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -76.21 -169.25 0.66 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 O-C-N 123.622 1.327 . . . . 10.0 110.714 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.55 -42.03 92.32 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.474 -0.766 . . . . 10.0 110.253 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.157 179.798 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.036 0.446 . . . . 10.0 110.178 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.28 -177.74 53.3 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.99 -1.244 . . . . 10.0 109.99 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.5 12.16 13.15 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.332 -1.099 . . . . 10.0 111.044 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -137.81 41.82 2.32 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.152 -0.967 . . . . 10.0 110.064 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.685 ' HA ' HG22 ' A' ' 8' ' ' ILE . 16.7 tp -97.35 -33.53 11.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.359 -0.838 . . . . 10.0 110.437 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -24.26 66.67 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.326 -0.859 . . . . 10.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -98.84 -34.19 10.58 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.388 -0.82 . . . . 10.0 110.431 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.685 HG22 ' HA ' ' A' ' 5' ' ' LEU . 8.2 tt -72.68 -26.75 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.172 -0.955 . . . . 10.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -59.64 -50.3 74.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.167 -0.958 . . . . 10.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -62.52 -38.45 90.01 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.562 -0.711 . . . . 10.0 109.45 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -68.77 -40.43 79.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.575 -0.703 . . . . 10.0 109.707 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.8 mt -57.04 -38.43 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.575 -0.703 . . . . 10.0 109.216 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.07 -37.41 75.48 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.604 -0.685 . . . . 10.0 109.55 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.11 -46.09 88.94 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.429 -0.794 . . . . 10.0 109.723 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.79 -27.97 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.768 -0.582 . . . . 10.0 110.39 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 tp -59.52 -42.33 92.0 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.368 -0.832 . . . . 10.0 110.081 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.5 t -69.4 -40.24 77.45 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.32 -0.862 . . . . 10.0 109.818 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -72.14 -34.7 68.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.583 -0.698 . . . . 10.0 110.389 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -43.96 14.82 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.374 -0.829 . . . . 10.0 110.801 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -66.77 -42.74 85.58 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.6 -0.688 . . . . 10.0 110.157 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -75.38 -41.61 55.86 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.345 -0.847 . . . . 10.0 110.094 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -56.14 -49.47 73.84 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.715 -0.616 . . . . 10.0 109.8 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.26 -38.86 92.54 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.866 -0.521 . . . . 10.0 110.533 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.2 tttt -72.25 -42.33 65.77 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.302 -0.874 . . . . 10.0 110.161 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.53 71.59 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.504 -0.748 . . . . 10.0 110.682 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -91.71 -47.9 7.11 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.279 -0.888 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.12 88.83 7.12 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.425 -0.797 . . . . 10.0 110.207 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.2 mmm -123.65 102.3 35.75 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.76 -0.588 . . . . 10.0 109.958 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -72.96 173.72 13.12 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 O-C-N 123.765 1.403 . . . . 10.0 111.164 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.41 166.41 10.42 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.687 -0.633 . . . . 10.0 110.261 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 117.828 -1.082 . . . . 10.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.923 0.392 . . . . 10.0 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.75 -174.69 46.49 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.706 -1.358 . . . . 10.0 109.706 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -144.06 116.99 8.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.418 -1.048 . . . . 10.0 110.056 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.537 ' CE3' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -123.29 28.2 7.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 10.0 110.725 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -129.19 -61.53 1.03 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.198 -0.939 . . . . 10.0 110.103 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -66.73 -48.36 69.39 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.504 -0.748 . . . . 10.0 110.001 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.66 -36.9 84.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.672 -0.642 . . . . 10.0 110.527 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.537 HG13 ' CE3' ' A' ' 4' ' ' TRP . 48.0 mm -71.28 -35.65 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.391 -0.818 . . . . 10.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -57.68 -52.97 63.25 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.365 -0.834 . . . . 10.0 110.263 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -32.71 69.7 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.414 -0.804 . . . . 10.0 110.028 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.18 -42.26 89.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.384 -0.823 . . . . 10.0 109.901 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -56.67 -37.19 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.488 -0.758 . . . . 10.0 109.477 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.7 t -70.71 -35.29 72.67 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.538 -0.726 . . . . 10.0 109.995 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 -42.57 89.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.44 -0.787 . . . . 10.0 109.922 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.86 -34.11 67.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.095 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -49.16 78.91 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.495 -0.753 . . . . 10.0 109.758 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.73 -37.12 70.63 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.385 -0.822 . . . . 10.0 109.527 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.05 -36.21 83.61 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.574 -0.704 . . . . 10.0 109.895 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -37.98 48.17 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 10.0 110.481 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -61.52 -36.05 79.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.269 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -90.81 -42.25 10.76 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.389 -0.819 . . . . 10.0 109.973 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -55.32 -46.69 76.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.751 -0.593 . . . . 10.0 110.209 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.9 mm? -65.78 -40.54 92.08 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.674 -0.641 . . . . 10.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -70.1 -38.77 75.74 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.382 -0.824 . . . . 10.0 109.939 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.38 -22.26 66.78 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.637 -0.664 . . . . 10.0 110.897 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -98.12 -24.86 15.13 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.266 -0.896 . . . . 10.0 110.766 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' HA ' HD11 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -70.43 -32.08 69.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.242 -0.911 . . . . 10.0 110.761 -179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.416 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -64.92 -56.36 21.53 Favored Pre-proline 0 N--CA 1.5 2.062 0 O-C-N 121.441 -0.787 . . . . 10.0 111.022 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 28' ' ' MET . 47.3 Cg_endo -73.32 -169.8 0.57 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 O-C-N 123.532 1.28 . . . . 10.0 111.228 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 132.09 46.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.477 -0.764 . . . . 10.0 110.0 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 27' ' ' LEU . 2.8 mp . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 118.338 -0.839 . . . . 10.0 110.788 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.094 0.474 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 112.78 115.06 3.32 Favored Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.643 -1.383 . . . . 10.0 109.643 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -141.66 169.69 17.12 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.491 -1.005 . . . . 10.0 110.379 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -34.01 75.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.608 -0.683 . . . . 10.0 110.603 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tp -58.76 -42.41 88.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.341 -0.849 . . . . 10.0 109.858 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -36.68 83.39 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.393 -0.817 . . . . 10.0 109.367 179.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.07 -37.08 76.23 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.646 -0.659 . . . . 10.0 109.94 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.45 -40.82 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.442 -0.786 . . . . 10.0 109.982 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.517 ' HA ' HD12 ' A' ' 12' ' ' ILE . 30.3 t-105 -56.74 -42.2 78.86 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.509 -0.744 . . . . 10.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.94 -45.35 90.66 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.37 -0.831 . . . . 10.0 109.689 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -68.64 -38.54 80.56 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.604 -0.685 . . . . 10.0 109.914 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 9' ' ' TRP . 37.8 mt -57.07 -38.75 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.396 -0.815 . . . . 10.0 109.152 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.8 t -70.03 -37.03 75.5 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.528 -0.733 . . . . 10.0 109.333 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -36.64 78.74 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.671 -0.643 . . . . 10.0 109.722 179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.53 -33.97 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.612 -0.68 . . . . 10.0 109.827 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.16 -44.06 83.13 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.665 -0.647 . . . . 10.0 110.683 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -61.59 -44.28 97.31 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.466 -0.771 . . . . 10.0 109.723 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.89 -38.0 82.45 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.582 -0.699 . . . . 10.0 109.482 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -40.77 69.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.652 -0.655 . . . . 10.0 109.266 178.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -61.69 -45.51 93.66 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -67.86 -38.83 83.62 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.424 -0.798 . . . . 10.0 109.597 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -56.13 -48.42 76.25 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.603 -0.685 . . . . 10.0 109.658 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.68 -41.37 94.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.812 -0.555 . . . . 10.0 110.136 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -68.96 -38.26 79.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.429 -0.794 . . . . 10.0 109.764 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.34 90.73 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.599 -0.688 . . . . 10.0 109.998 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -71.04 -30.19 66.3 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.444 -0.785 . . . . 10.0 110.403 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.45 -27.13 67.57 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.508 -0.745 . . . . 10.0 110.594 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.7 ttt -62.68 127.78 90.8 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.368 -0.833 . . . . 10.0 110.227 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -73.43 -173.57 1.35 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 O-C-N 123.88 1.463 . . . . 10.0 111.177 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -83.26 94.12 7.84 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.564 -0.71 . . . . 10.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.24 -0.886 . . . . 10.0 110.373 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.089 0.471 . . . . 10.0 110.485 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.27 -115.18 0.55 Allowed Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.593 -1.403 . . . . 10.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 p -108.71 57.04 0.61 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.458 -1.025 . . . . 10.0 110.126 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.96 55.73 2.87 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.283 -0.886 . . . . 10.0 110.422 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.87 -43.14 2.26 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.32 -0.862 . . . . 10.0 110.624 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -37.33 67.85 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.453 -0.78 . . . . 10.0 110.68 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.18 -43.22 92.16 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.443 -0.786 . . . . 10.0 110.258 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.54 -29.43 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.37 -0.831 . . . . 10.0 110.049 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.632 ' HA ' HD12 ' A' ' 12' ' ' ILE . 27.8 t-105 -54.25 -46.42 72.59 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.544 -0.722 . . . . 10.0 110.504 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.03 -44.66 96.23 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.432 -0.792 . . . . 10.0 109.758 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.3 t90 -58.87 -40.55 84.69 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.46 -0.775 . . . . 10.0 109.807 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 9' ' ' TRP . 44.4 mt -60.2 -38.69 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.481 -0.762 . . . . 10.0 109.277 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.1 t -68.62 -34.56 75.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.581 -0.699 . . . . 10.0 109.738 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.01 -40.95 87.4 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.581 -0.699 . . . . 10.0 110.043 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t -66.47 -33.95 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.581 -0.699 . . . . 10.0 109.722 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -46.92 88.15 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.489 -0.757 . . . . 10.0 109.758 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 p -74.57 -36.11 63.05 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.522 -0.736 . . . . 10.0 109.446 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.17 -33.29 75.43 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.716 -0.615 . . . . 10.0 110.308 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -42.57 26.15 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.502 -0.749 . . . . 10.0 110.46 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.23 -39.2 89.4 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.64 -0.663 . . . . 10.0 110.196 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -78.94 -36.35 41.8 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.391 -0.818 . . . . 10.0 109.867 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -54.11 -50.84 65.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.626 -0.671 . . . . 10.0 109.537 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -66.75 -38.9 87.53 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.815 -0.553 . . . . 10.0 110.19 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -39.82 94.16 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.358 -0.839 . . . . 10.0 110.088 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.89 -22.87 49.1 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.443 -0.786 . . . . 10.0 110.726 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -78.77 -41.87 29.44 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.186 -0.946 . . . . 10.0 110.742 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.3 tp -133.78 128.49 34.91 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.27 -0.894 . . . . 10.0 110.476 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.484 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -167.56 -61.65 0.01 OUTLIER Pre-proline 0 N--CA 1.499 1.984 0 O-C-N 121.606 -0.684 . . . . 10.0 110.556 179.75 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 46.0 Cg_endo -73.37 -93.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.081 0 O-C-N 123.387 1.204 . . . . 10.0 110.55 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 53.46 75.3 0.26 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.436 -0.79 . . . . 10.0 110.562 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 118.449 -0.786 . . . . 10.0 110.807 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 120.829 0.347 . . . . 10.0 110.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.11 -55.51 3.09 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.693 -1.363 . . . . 10.0 109.693 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -134.17 -162.63 1.27 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.51 -0.994 . . . . 10.0 110.297 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.85 -46.27 3.13 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.403 -0.81 . . . . 10.0 110.292 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.34 -51.38 6.61 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.406 -0.809 . . . . 10.0 110.693 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -63.39 -37.34 86.91 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.373 -0.829 . . . . 10.0 110.719 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.24 93.47 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.38 -0.825 . . . . 10.0 110.204 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -70.55 -45.1 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.388 -0.82 . . . . 10.0 109.904 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -60.5 -46.46 90.05 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.526 -0.734 . . . . 10.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -61.81 -41.69 98.08 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.504 -0.748 . . . . 10.0 109.95 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -63.48 -40.4 97.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.377 -0.827 . . . . 10.0 110.101 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.9 mt -60.16 -35.26 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.421 -0.8 . . . . 10.0 109.13 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 t -70.91 -41.42 71.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.602 -0.686 . . . . 10.0 109.791 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.15 -38.77 86.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.476 -0.765 . . . . 10.0 109.737 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.6 t -67.13 -31.79 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.661 -0.65 . . . . 10.0 109.679 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.04 -43.97 97.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.349 -0.844 . . . . 10.0 109.892 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 p -78.0 -39.93 40.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 10.0 109.688 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -66.54 -25.71 66.79 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.527 -0.733 . . . . 10.0 110.357 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -54.13 -36.19 63.01 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.344 -0.848 . . . . 10.0 110.101 179.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -67.14 -36.13 81.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.48 -0.762 . . . . 10.0 110.366 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 p -89.21 -41.95 11.93 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.256 -0.902 . . . . 10.0 110.515 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -57.8 -48.02 80.92 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.489 -0.757 . . . . 10.0 110.089 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 19' ' ' PHE . 3.7 mm? -61.1 -41.92 97.56 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.685 -0.634 . . . . 10.0 110.387 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -73.6 -34.22 64.96 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.26 -0.9 . . . . 10.0 110.099 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.06 -24.97 65.0 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.562 -0.711 . . . . 10.0 110.737 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.63 -27.51 12.7 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.3 -0.875 . . . . 10.0 110.667 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -38.53 65.6 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.245 -0.909 . . . . 10.0 110.481 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.463 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 33.7 mtp -57.1 -54.35 55.57 Favored Pre-proline 0 N--CA 1.5 2.043 0 O-C-N 121.583 -0.698 . . . . 10.0 111.047 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 28' ' ' MET . 45.2 Cg_endo -72.78 -170.03 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.287 0 O-C-N 123.531 1.28 . . . . 10.0 111.041 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -90.46 -170.66 2.81 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.4 -0.813 . . . . 10.0 110.485 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 118.2 -0.905 . . . . 10.0 110.076 179.797 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.143 0.497 . . . . 10.0 110.397 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.45 85.84 1.24 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.356 -1.498 . . . . 10.0 109.356 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.92 129.12 51.43 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.537 -0.978 . . . . 10.0 110.457 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' HE3' HD11 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -77.4 -10.52 59.51 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.528 -0.732 . . . . 10.0 110.684 179.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.689 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -58.9 -29.25 66.9 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.319 -0.863 . . . . 10.0 110.631 179.732 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -45.57 84.78 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.395 -0.816 . . . . 10.0 110.14 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.84 -44.23 90.48 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.499 -0.75 . . . . 10.0 109.521 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 5' ' ' LEU . 17.0 mt -59.54 -43.36 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.579 -0.701 . . . . 10.0 109.267 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 31.0 t-105 -64.06 -35.91 82.28 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.683 -0.636 . . . . 10.0 109.727 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.84 -44.8 96.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.665 -0.647 . . . . 10.0 109.89 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -67.54 -39.87 85.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.584 -0.698 . . . . 10.0 109.675 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -58.44 -36.77 60.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.556 -0.715 . . . . 10.0 109.191 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 t -69.72 -35.07 74.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.585 -0.697 . . . . 10.0 109.583 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.63 -42.81 99.81 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.441 -0.787 . . . . 10.0 109.602 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.22 -28.74 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.703 -0.623 . . . . 10.0 109.871 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.89 -37.74 80.25 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.576 -0.703 . . . . 10.0 110.229 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -46.67 87.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.337 -0.852 . . . . 10.0 109.354 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.45 -32.98 70.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.629 -0.669 . . . . 10.0 109.464 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 t80 -49.89 -40.59 43.46 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.535 -0.728 . . . . 10.0 109.793 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -67.97 -45.1 75.11 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.659 -0.65 . . . . 10.0 110.131 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 4.9 m -72.54 -44.16 62.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.514 -0.741 . . . . 10.0 110.517 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -41.34 96.45 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.292 -0.88 . . . . 10.0 109.914 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.7 mm? -66.83 -37.48 84.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.671 -0.643 . . . . 10.0 111.067 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -70.84 -25.35 62.8 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.05 -1.031 . . . . 10.0 110.553 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . -80.71 -32.7 35.75 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.215 -0.928 . . . . 10.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HG2' ' HA ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -84.59 -8.53 58.87 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.479 -0.763 . . . . 10.0 111.241 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.68 -49.21 8.15 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.163 -0.961 . . . . 10.0 110.645 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.6 mtt -88.27 116.05 65.07 Favored Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.538 -0.726 . . . . 10.0 110.394 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.66 -169.28 0.64 Allowed 'Trans proline' 0 C--N 1.315 -1.194 0 O-C-N 123.734 1.386 . . . . 10.0 110.778 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.47 52.01 1.86 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 10.0 110.177 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.118 0 CA-C-O 117.792 -1.099 . . . . 10.0 110.408 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.919 0.39 . . . . 10.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.59 60.33 0.66 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.422 -1.471 . . . . 10.0 109.422 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -164.99 170.98 14.55 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.551 -0.97 . . . . 10.0 110.415 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.78 -50.76 3.33 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.491 -0.755 . . . . 10.0 109.935 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.79 -46.67 11.15 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.39 -0.819 . . . . 10.0 109.972 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -56.94 -39.67 74.98 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.44 -0.787 . . . . 10.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.9 -47.95 81.09 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.608 -0.682 . . . . 10.0 110.146 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.2 mt -70.74 -31.03 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.442 -0.786 . . . . 10.0 110.071 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.616 ' HA ' HD12 ' A' ' 12' ' ' ILE . 4.1 m95 -57.48 -36.34 71.35 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.384 -0.822 . . . . 10.0 110.061 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -61.57 -44.05 97.75 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.568 -0.708 . . . . 10.0 109.5 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -66.85 -38.81 87.08 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.581 -0.699 . . . . 10.0 109.78 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 9' ' ' TRP . 66.0 mt -60.79 -35.3 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.338 -0.851 . . . . 10.0 109.385 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.1 t -70.85 -37.7 73.13 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.575 -0.703 . . . . 10.0 109.981 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -35.25 77.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.421 -0.799 . . . . 10.0 109.932 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.15 -34.66 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.626 -0.671 . . . . 10.0 109.735 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.19 -42.53 86.33 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.668 -0.645 . . . . 10.0 110.675 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.2 p -62.05 -44.96 95.56 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.312 -0.867 . . . . 10.0 109.953 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.3 -40.71 90.19 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.628 -0.67 . . . . 10.0 109.667 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -36.92 75.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.56 -0.713 . . . . 10.0 109.548 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -39.74 95.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.74 -0.6 . . . . 10.0 109.881 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.3 m -70.11 -36.36 74.79 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.355 -0.841 . . . . 10.0 109.68 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -58.47 -48.45 80.74 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.606 -0.684 . . . . 10.0 109.484 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -71.23 -37.42 72.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.933 -0.48 . . . . 10.0 110.127 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.73 -40.14 94.82 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.475 -0.766 . . . . 10.0 109.867 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.03 -33.42 59.64 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.508 -0.745 . . . . 10.0 110.055 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -73.26 -45.06 58.02 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.403 -0.811 . . . . 10.0 110.432 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -108.15 119.43 39.46 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.387 -0.821 . . . . 10.0 110.384 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.8 100.94 6.54 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.698 -0.626 . . . . 10.0 109.891 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -73.09 177.51 7.7 Favored 'Trans proline' 0 C--N 1.314 -1.284 0 O-C-N 123.73 1.384 . . . . 10.0 111.379 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -143.01 143.51 31.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.631 -0.668 . . . . 10.0 110.283 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 118.241 -0.885 . . . . 10.0 110.581 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 120.958 0.409 . . . . 10.0 110.404 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.73 -92.25 1.5 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.33 -1.508 . . . . 10.0 109.33 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.64 83.87 7.51 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.532 -0.981 . . . . 10.0 109.831 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.536 ' CE2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -107.94 -160.72 0.74 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.354 -0.841 . . . . 10.0 110.029 -179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt 69.78 -63.78 0.37 Allowed 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.81 -0.556 . . . . 10.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.07 -42.98 86.69 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.189 -0.944 . . . . 10.0 110.339 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.09 -42.6 99.38 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.507 -0.746 . . . . 10.0 109.998 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.536 HD11 ' CE2' ' A' ' 4' ' ' TRP . 2.0 mp -74.2 -33.8 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.511 -0.743 . . . . 10.0 110.043 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.561 ' HA ' HD12 ' A' ' 12' ' ' ILE . 10.7 t-105 -53.89 -52.41 60.59 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.409 -0.807 . . . . 10.0 110.233 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.53 -41.03 98.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.499 -0.751 . . . . 10.0 109.384 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.14 -40.55 85.87 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.684 -0.635 . . . . 10.0 109.842 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' A' ' 9' ' ' TRP . 33.2 mt -61.17 -37.58 77.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.545 -0.722 . . . . 10.0 109.425 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 t -67.22 -39.07 86.22 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.629 -0.67 . . . . 10.0 109.975 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -39.12 87.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.528 -0.733 . . . . 10.0 110.234 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.08 -33.87 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.682 -0.636 . . . . 10.0 109.841 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.78 -42.85 81.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.438 -0.789 . . . . 10.0 110.227 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -75.02 -41.11 59.97 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.498 -0.751 . . . . 10.0 110.323 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -71.43 -24.55 62.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.395 -0.816 . . . . 10.0 110.542 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.09 -40.09 44.61 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.226 -0.921 . . . . 10.0 110.178 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -67.33 -47.96 68.98 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.604 -0.685 . . . . 10.0 110.205 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 p -72.79 -36.39 67.6 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.32 -0.863 . . . . 10.0 110.409 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' HE3' HD12 ' A' ' 23' ' ' LEU . 73.2 t90 -55.72 -51.89 65.79 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.715 . . . . 10.0 109.613 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 HD12 ' HE3' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -60.49 -40.31 90.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.814 -0.554 . . . . 10.0 110.454 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -69.37 -39.88 77.77 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.271 -0.893 . . . . 10.0 109.988 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -36.86 68.25 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.547 -0.721 . . . . 10.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -70.45 -35.44 73.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.447 -0.783 . . . . 10.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.27 -36.0 81.84 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.241 -0.912 . . . . 10.0 110.317 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.83 154.09 70.35 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.517 -0.739 . . . . 10.0 110.156 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -74.32 -172.74 1.24 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 O-C-N 123.863 1.454 . . . . 10.0 110.956 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 153.27 42.97 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.497 -0.752 . . . . 10.0 110.401 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.303 -0.855 . . . . 10.0 110.446 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.495 1.809 0 CA-C-O 120.908 0.385 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -92.45 129.81 10.03 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.566 -1.413 . . . . 10.0 109.566 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -114.83 112.01 22.1 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.471 -1.017 . . . . 10.0 110.188 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' CE3' HD11 ' A' ' 8' ' ' ILE . 18.4 t90 -71.01 -31.27 67.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.439 -0.788 . . . . 10.0 110.372 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.744 ' HA ' HD12 ' A' ' 8' ' ' ILE . 12.9 mt -57.17 -39.55 75.53 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.427 -0.796 . . . . 10.0 109.968 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.99 71.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.673 -0.642 . . . . 10.0 109.74 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.31 -38.09 36.1 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.778 -0.576 . . . . 10.0 109.785 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 5' ' ' LEU . 62.8 mt -56.27 -40.13 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.562 -0.712 . . . . 10.0 110.367 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.409 ' HA ' HD12 ' A' ' 12' ' ' ILE . 43.6 t-105 -61.2 -38.65 87.3 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.421 -0.799 . . . . 10.0 110.236 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.574 -0.704 . . . . 10.0 109.761 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.13 -39.67 90.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.534 -0.728 . . . . 10.0 109.81 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 9' ' ' TRP . 57.4 mt -59.32 -37.67 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.459 -0.776 . . . . 10.0 109.09 179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.9 t -68.26 -35.51 78.01 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.623 -0.673 . . . . 10.0 109.428 178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -49.39 77.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.667 -0.646 . . . . 10.0 109.842 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.7 t -59.63 -36.67 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.785 -0.572 . . . . 10.0 110.022 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 tt -64.27 -41.52 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.494 -0.754 . . . . 10.0 109.917 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.02 -40.58 98.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.453 -0.78 . . . . 10.0 109.786 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.48 -33.06 74.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.554 -0.716 . . . . 10.0 109.894 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -34.14 24.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.389 -0.819 . . . . 10.0 109.846 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.39 -47.57 75.86 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.631 -0.668 . . . . 10.0 109.521 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -77.8 -33.09 52.7 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.479 -0.763 . . . . 10.0 110.176 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -57.37 -49.82 74.93 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.517 -0.74 . . . . 10.0 109.489 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.71 -41.08 97.13 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.741 -0.599 . . . . 10.0 109.89 179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -67.92 -34.72 77.16 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.567 -0.708 . . . . 10.0 109.922 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.86 -30.64 68.15 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.599 -0.688 . . . . 10.0 110.451 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -40.62 95.94 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.374 -0.828 . . . . 10.0 110.198 179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -165.97 1.32 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.471 -0.768 . . . . 10.0 109.884 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 64.94 98.56 0.04 OUTLIER Pre-proline 0 N--CA 1.503 2.175 0 O-C-N 121.65 -0.656 . . . . 10.0 110.764 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -74.59 -173.52 1.53 Allowed 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.83 1.437 . . . . 10.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -65.05 141.72 58.65 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.511 -0.743 . . . . 10.0 110.627 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.497 1.917 0 CA-C-O 118.308 -0.853 . . . . 10.0 110.525 -179.812 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.047 0.451 . . . . 10.0 110.228 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.38 141.83 10.66 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 109.748 -1.341 . . . . 10.0 109.748 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -138.65 118.46 13.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.442 -1.034 . . . . 10.0 110.283 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -33.93 57.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.63 -0.669 . . . . 10.0 110.096 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' HA ' HD12 ' A' ' 8' ' ' ILE . 1.7 mp -54.94 -31.64 60.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.574 -0.704 . . . . 10.0 110.837 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -40.2 65.1 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.391 -0.818 . . . . 10.0 110.326 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.77 -43.24 63.08 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.763 . . . . 10.0 109.802 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 5' ' ' LEU . 6.9 mt -67.56 -31.1 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.494 -0.754 . . . . 10.0 110.064 179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.618 ' HA ' HD12 ' A' ' 12' ' ' ILE . 4.2 m95 -56.02 -40.1 72.93 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.413 -0.804 . . . . 10.0 110.16 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.56 -46.01 91.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.441 -0.787 . . . . 10.0 109.343 179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.8 t90 -66.44 -38.7 87.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.605 -0.684 . . . . 10.0 109.71 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 9' ' ' TRP . 40.8 mt -57.13 -39.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.351 -0.843 . . . . 10.0 109.319 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.4 t -69.87 -35.11 74.42 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.634 -0.666 . . . . 10.0 109.442 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.25 -34.24 76.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.53 -0.731 . . . . 10.0 110.018 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t -82.6 -28.71 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.685 -0.635 . . . . 10.0 109.945 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -44.22 95.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.416 -0.803 . . . . 10.0 110.524 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 p -58.07 -40.72 81.73 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 109.927 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.13 -37.84 53.22 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.536 -0.728 . . . . 10.0 109.603 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -45.16 -48.78 12.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.748 -0.595 . . . . 10.0 110.579 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -63.71 -43.56 96.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.551 -0.718 . . . . 10.0 110.412 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 m -70.87 -38.18 73.1 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.326 -0.859 . . . . 10.0 109.955 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -54.47 -48.24 72.01 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.62 -0.675 . . . . 10.0 109.861 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -43.86 90.94 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.781 -0.574 . . . . 10.0 110.421 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -40.05 84.69 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.492 -0.755 . . . . 10.0 110.239 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -26.82 67.33 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.537 -0.727 . . . . 10.0 110.552 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -72.61 -38.62 67.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.324 -0.86 . . . . 10.0 110.703 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.59 125.34 22.43 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.676 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -153.64 74.52 6.48 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.559 -0.713 . . . . 10.0 110.073 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.78 -170.81 0.9 Allowed 'Trans proline' 0 C--N 1.314 -1.239 0 O-C-N 123.799 1.421 . . . . 10.0 111.071 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -71.88 -33.71 68.59 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.508 -0.745 . . . . 10.0 110.481 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.297 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.087 0.47 . . . . 10.0 110.384 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 169.9 151.1 7.2 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.775 -1.33 . . . . 10.0 109.775 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 p -86.06 171.62 11.24 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.46 -1.023 . . . . 10.0 110.318 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -117.99 -59.1 1.94 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.4 -0.813 . . . . 10.0 110.26 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -65.22 -54.63 26.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.359 -0.838 . . . . 10.0 110.034 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -59.63 -35.4 74.29 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.675 -0.64 . . . . 10.0 110.128 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -43.46 98.77 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.72 -50.92 56.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.407 -0.808 . . . . 10.0 110.232 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 m95 -60.34 -46.99 87.97 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.439 -0.788 . . . . 10.0 110.458 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.58 -43.42 97.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.588 -0.695 . . . . 10.0 110.375 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.19 -39.0 91.28 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.315 -0.866 . . . . 10.0 110.185 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -60.1 -37.66 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.322 -0.861 . . . . 10.0 109.145 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.3 t -70.64 -34.16 71.77 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.622 -0.674 . . . . 10.0 109.873 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.62 -42.32 74.52 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -0.827 . . . . 10.0 110.035 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.1 t -62.64 -36.81 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.718 -0.614 . . . . 10.0 110.119 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -65.96 -48.08 72.5 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 10.0 110.306 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -40.65 83.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.31 -0.869 . . . . 10.0 110.083 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -35.52 78.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.558 -0.714 . . . . 10.0 110.141 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -48.61 41.21 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.533 -0.729 . . . . 10.0 110.381 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -63.53 -44.82 93.12 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 10.0 110.356 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 m -70.17 -37.78 75.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.407 -0.808 . . . . 10.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -54.91 -50.18 69.43 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.719 . . . . 10.0 109.607 179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.7 mp -64.86 -41.67 95.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.815 -0.553 . . . . 10.0 110.33 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.2 mtpp -66.55 -45.24 80.06 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.39 -0.819 . . . . 10.0 110.345 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.8 -32.72 73.47 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.402 -0.811 . . . . 10.0 110.545 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -44.28 90.57 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.395 -0.816 . . . . 10.0 110.558 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 23' ' ' LEU . 1.8 pp -93.24 -24.88 18.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.443 -0.786 . . . . 10.0 110.506 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mtt -138.2 79.53 31.22 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.313 -0.867 . . . . 10.0 109.966 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.91 179.3 4.94 Favored 'Trans proline' 0 C--N 1.315 -1.219 0 O-C-N 123.755 1.397 . . . . 10.0 111.172 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -147.19 50.16 1.1 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.687 -0.633 . . . . 10.0 110.453 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 118.192 -0.909 . . . . 10.0 110.249 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.115 0.483 . . . . 10.0 110.42 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -74.98 155.94 48.53 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.75 -1.34 . . . . 10.0 109.75 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -102.77 113.86 27.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.477 -1.013 . . . . 10.0 110.268 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.44 ' CE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -118.96 -61.89 1.59 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.424 -0.797 . . . . 10.0 110.128 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt -58.07 -40.35 80.81 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.447 -0.783 . . . . 10.0 110.241 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -38.44 75.06 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.483 -0.761 . . . . 10.0 109.698 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -58.89 -41.15 86.46 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.613 -0.679 . . . . 10.0 110.017 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD11 ' CE3' ' A' ' 4' ' ' TRP . 22.0 mt -70.64 -37.47 69.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.496 -0.752 . . . . 10.0 109.941 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.614 ' HA ' HD12 ' A' ' 12' ' ' ILE . 36.5 t-105 -54.98 -40.2 69.81 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.587 -0.695 . . . . 10.0 110.504 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -60.63 -45.47 93.92 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.489 -0.757 . . . . 10.0 109.845 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -65.84 -37.99 87.66 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.568 -0.708 . . . . 10.0 109.987 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 9' ' ' TRP . 46.5 mt -59.69 -36.97 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 10.0 109.379 179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -73.11 -34.53 66.2 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.591 -0.693 . . . . 10.0 109.66 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -44.6 91.76 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.492 -0.755 . . . . 10.0 109.833 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.11 -36.89 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.719 -0.613 . . . . 10.0 109.657 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.62 -46.09 91.58 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 10.0 109.42 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -67.91 -38.15 82.59 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.597 -0.689 . . . . 10.0 109.145 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -66.05 -42.28 89.7 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 10.0 109.737 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -47.15 -47.66 23.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.779 -0.576 . . . . 10.0 110.137 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.27 -46.58 86.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.582 -0.699 . . . . 10.0 109.993 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.79 -35.49 77.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.534 -0.729 . . . . 10.0 110.146 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -56.7 -47.48 79.82 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.646 -0.659 . . . . 10.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.94 -44.21 96.7 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.912 -0.492 . . . . 10.0 110.015 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -66.54 -41.3 88.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.421 -0.8 . . . . 10.0 109.999 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.35 -29.46 68.19 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.529 -0.732 . . . . 10.0 110.359 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -39.14 62.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.346 -0.846 . . . . 10.0 110.687 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 tp -154.48 117.16 4.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.354 -0.841 . . . . 10.0 110.638 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.658 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.7 OUTLIER -178.69 -57.36 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 121.834 -0.541 . . . . 10.0 110.504 179.542 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 46.5 Cg_endo -72.67 -175.34 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 O-C-N 123.382 1.201 . . . . 10.0 111.306 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -88.84 92.38 9.19 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.58 -0.7 . . . . 10.0 109.974 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 118.3 -0.857 . . . . 10.0 110.316 -179.769 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.8 p . . . . . 0 N--CA 1.495 1.81 0 CA-C-O 120.791 0.329 . . . . 10.0 110.576 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.11 -122.32 0.72 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.884 -1.286 . . . . 10.0 109.884 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 p -60.35 -34.99 74.64 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.62 -0.93 . . . . 10.0 110.778 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.471 ' CZ3' HD13 ' A' ' 8' ' ' ILE . 25.5 t90 -56.33 -47.07 79.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.549 -0.719 . . . . 10.0 110.147 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' O ' HG22 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -81.09 -33.61 33.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.577 -0.702 . . . . 10.0 110.371 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.25 80.75 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.267 -0.896 . . . . 10.0 110.407 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -68.74 -36.21 78.09 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.383 -0.823 . . . . 10.0 110.688 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.471 HD13 ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -64.84 -33.84 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.35 -0.844 . . . . 10.0 110.74 -179.825 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -53.52 39.0 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.318 -0.864 . . . . 10.0 110.194 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.03 -40.32 88.95 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.506 -0.746 . . . . 10.0 109.718 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -66.28 -38.94 88.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.425 -0.797 . . . . 10.0 109.756 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mt -60.69 -38.43 78.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.486 -0.759 . . . . 10.0 109.129 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.06 -36.27 77.48 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.526 -0.734 . . . . 10.0 109.612 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.9 -44.39 89.76 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.498 -0.751 . . . . 10.0 109.9 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 19' ' ' PHE . 94.5 t -62.36 -36.24 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.756 -0.59 . . . . 10.0 109.872 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 tp -62.12 -33.84 75.22 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.449 -0.782 . . . . 10.0 110.411 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.2 -36.39 13.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.37 -0.831 . . . . 10.0 110.094 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.17 -31.78 70.65 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.27 -0.894 . . . . 10.0 110.502 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 15' ' ' VAL . 0.4 OUTLIER -49.72 -44.58 48.37 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.447 -0.783 . . . . 10.0 109.98 179.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -61.98 -44.84 95.9 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.922 -0.486 . . . . 10.0 110.052 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m -71.34 -40.2 70.85 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.436 -0.79 . . . . 10.0 109.994 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -56.33 -46.99 79.66 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.512 -0.743 . . . . 10.0 109.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -40.03 87.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.738 -0.601 . . . . 10.0 110.514 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -70.87 -44.25 66.75 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.901 . . . . 10.0 110.172 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.5 94.87 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.596 -0.69 . . . . 10.0 110.284 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -62.7 -37.01 84.77 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.381 -0.825 . . . . 10.0 110.084 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tt -75.28 -32.22 60.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.502 -0.748 . . . . 10.0 110.46 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 68.9 mtm -85.7 117.09 68.09 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.463 -0.773 . . . . 10.0 110.562 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.79 -177.02 3.3 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 O-C-N 123.793 1.417 . . . . 10.0 110.966 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 50.82 47.38 24.69 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.819 -0.55 . . . . 10.0 110.677 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.5 2.037 0 CA-C-O 118.712 -0.661 . . . . 10.0 110.39 -179.98 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 120.894 0.378 . . . . 10.0 110.351 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.5 76.59 1.34 Allowed Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.591 -1.404 . . . . 10.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -110.22 51.88 0.75 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.407 -1.055 . . . . 10.0 110.202 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -110.82 38.11 2.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.361 -0.837 . . . . 10.0 110.509 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.07 -45.99 2.34 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.256 -0.903 . . . . 10.0 110.43 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -38.84 85.78 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.488 -0.757 . . . . 10.0 110.527 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.36 -29.29 67.98 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.435 -0.791 . . . . 10.0 110.741 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.9 mt -77.76 -42.7 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.234 -0.916 . . . . 10.0 110.304 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.48 ' HA ' HD12 ' A' ' 12' ' ' ILE . 68.3 t-105 -55.9 -54.21 47.43 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.443 -0.786 . . . . 10.0 110.747 -179.611 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.54 -39.61 84.5 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.462 -0.774 . . . . 10.0 110.158 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -60.51 -42.51 96.56 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.424 -0.797 . . . . 10.0 109.917 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 9' ' ' TRP . 46.0 mt -58.72 -37.56 66.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.514 -0.741 . . . . 10.0 109.375 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.3 t -69.7 -39.33 76.96 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 10.0 109.876 179.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -40.38 92.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.533 -0.73 . . . . 10.0 110.166 179.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t -63.59 -37.15 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.714 -0.616 . . . . 10.0 109.709 179.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -41.19 98.93 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.461 -0.775 . . . . 10.0 109.655 179.265 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -76.05 -39.95 54.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.452 -0.78 . . . . 10.0 109.649 179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.96 -29.98 69.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.604 -0.685 . . . . 10.0 110.535 179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -39.83 32.14 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.34 -0.85 . . . . 10.0 110.196 179.497 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.67 -45.91 77.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.595 -0.69 . . . . 10.0 110.455 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 p -75.69 -42.52 50.81 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 10.0 110.258 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -54.5 -54.11 45.42 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.699 -0.625 . . . . 10.0 109.9 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.06 -31.4 71.88 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.752 -0.593 . . . . 10.0 110.512 179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -69.51 -33.7 73.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.158 -0.964 . . . . 10.0 109.955 179.324 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.86 -46.16 46.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.734 . . . . 10.0 110.271 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.22 65.14 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.419 -0.8 . . . . 10.0 110.376 179.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.99 61.08 0.6 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.378 -0.826 . . . . 10.0 109.635 179.381 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -117.98 118.36 34.62 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.542 -0.724 . . . . 10.0 110.142 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -74.27 -178.53 4.0 Favored 'Trans proline' 0 C--N 1.314 -1.257 0 O-C-N 123.901 1.474 . . . . 10.0 110.941 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.9 39.22 4.03 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.655 -0.653 . . . . 10.0 110.168 179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.1 mt . . . . . 0 N--CA 1.501 2.078 0 CA-C-O 117.817 -1.087 . . . . 10.0 110.505 -179.914 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 121.057 0.456 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 133.8 -165.66 24.17 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.799 -1.32 . . . . 10.0 109.799 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.1 86.41 7.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.347 -1.09 . . . . 10.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.58 -41.99 5.11 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.436 -0.79 . . . . 10.0 110.667 -179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 tp -58.17 -44.72 88.12 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.487 -0.758 . . . . 10.0 110.746 -179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -32.12 70.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.298 -0.876 . . . . 10.0 110.001 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.46 -37.76 63.15 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.592 -0.692 . . . . 10.0 109.828 179.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.5 mt -77.88 -30.31 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.393 -0.817 . . . . 10.0 110.519 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' HA ' HD12 ' A' ' 12' ' ' ILE . 16.9 t-105 -53.15 -48.02 68.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.397 -0.814 . . . . 10.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -58.8 -41.86 87.75 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.456 -0.778 . . . . 10.0 109.566 179.524 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -66.94 -38.46 86.19 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.471 -0.768 . . . . 10.0 109.702 178.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 9' ' ' TRP . 50.8 mt -59.18 -36.3 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.39 -0.819 . . . . 10.0 109.395 179.066 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.6 t -71.87 -37.71 70.15 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.619 -0.675 . . . . 10.0 109.998 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -38.69 91.98 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.414 -0.804 . . . . 10.0 109.871 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -33.27 52.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.623 -0.673 . . . . 10.0 109.89 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -37.84 74.42 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.59 -0.694 . . . . 10.0 110.097 179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -61.18 -45.97 92.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.598 -0.689 . . . . 10.0 109.492 179.248 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.41 -43.02 74.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.649 -0.657 . . . . 10.0 109.258 178.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -40.42 60.58 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.816 -0.552 . . . . 10.0 109.966 179.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -57.72 -43.47 85.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.647 -0.658 . . . . 10.0 109.812 179.183 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -79.82 -37.94 34.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 179.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 12.2 t90 -56.34 -50.4 71.61 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.43 -34.46 78.25 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.831 -0.543 . . . . 10.0 110.409 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -34.26 77.38 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.288 -0.883 . . . . 10.0 110.116 179.392 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.81 -33.6 68.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.391 -0.818 . . . . 10.0 110.017 179.378 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -82.03 -50.23 9.34 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 10.0 110.49 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.675 HD11 HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -96.33 136.67 36.49 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.523 -0.736 . . . . 10.0 110.246 -179.728 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.621 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 6.5 ttm -167.88 -58.08 0.01 OUTLIER Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.625 -0.672 . . . . 10.0 111.157 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 44.5 Cg_endo -70.4 -167.71 0.26 Allowed 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.145 1.076 . . . . 10.0 111.354 -179.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -68.06 151.9 46.34 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.295 -0.878 . . . . 10.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 27' ' ' LEU . 3.7 mp . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 118.257 -0.878 . . . . 10.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 120.922 0.391 . . . . 10.0 110.286 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 3' ' ' SER . . . -150.1 -123.67 1.2 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.601 -1.4 . . . . 10.0 109.601 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER 64.76 158.94 0.1 Allowed 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.923 -0.751 . . . . 10.0 111.076 179.918 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.41 ' CZ3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -104.39 -39.77 6.33 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.354 -0.841 . . . . 10.0 110.609 -179.742 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.09 -36.3 74.88 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.436 -0.79 . . . . 10.0 110.384 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -57.03 -42.4 80.35 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.455 -0.778 . . . . 10.0 110.136 179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.99 -37.56 88.07 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.505 -0.747 . . . . 10.0 110.148 179.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.41 HD11 ' CZ3' ' A' ' 4' ' ' TRP . 24.5 mm -74.7 -28.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.382 -0.824 . . . . 10.0 110.212 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.498 ' HA ' HD12 ' A' ' 12' ' ' ILE . 13.1 t-105 -54.62 -50.42 68.13 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.482 -0.761 . . . . 10.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.29 -40.98 98.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.402 -0.811 . . . . 10.0 109.601 179.294 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -60.28 -40.13 89.34 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.624 -0.673 . . . . 10.0 109.591 178.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 9' ' ' TRP . 41.7 mt -62.98 -37.54 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.503 -0.748 . . . . 10.0 109.285 178.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.3 t -64.24 -39.76 94.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.512 -0.742 . . . . 10.0 109.687 179.186 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -41.26 94.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.541 -0.724 . . . . 10.0 109.698 179.2 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.54 -35.51 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.76 -0.588 . . . . 10.0 109.551 179.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.83 -40.41 88.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 10.0 109.842 179.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -43.13 98.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.52 -0.737 . . . . 10.0 109.41 179.128 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.27 -37.64 66.22 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.64 -0.663 . . . . 10.0 109.461 178.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.98 -41.81 35.55 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.669 -0.644 . . . . 10.0 110.271 179.603 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.9 -42.92 98.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.655 -0.653 . . . . 10.0 110.187 179.471 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -81.67 -44.81 16.63 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.436 -0.79 . . . . 10.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -52.83 -46.43 67.74 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.562 -0.711 . . . . 10.0 110.085 179.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 -43.61 98.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.725 -0.61 . . . . 10.0 109.974 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -70.1 -34.96 73.78 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.354 -0.841 . . . . 10.0 109.817 179.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.97 -16.54 61.79 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.768 -0.582 . . . . 10.0 110.889 179.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -27.89 9.75 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.24 -0.913 . . . . 10.0 110.485 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.52 -39.59 22.19 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.32 -0.863 . . . . 10.0 110.875 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.442 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 2.9 mtp -58.3 -53.39 66.55 Favored Pre-proline 0 N--CA 1.5 2.074 0 O-C-N 121.332 -0.855 . . . . 10.0 111.142 -179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' A' ' 28' ' ' MET . 47.6 Cg_endo -75.13 -167.76 0.45 Allowed 'Trans proline' 0 N--CA 1.488 1.164 0 O-C-N 123.416 1.219 . . . . 10.0 111.089 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -124.45 163.39 21.91 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.54 -0.725 . . . . 10.0 110.177 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 31' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.339 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.007 0.432 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -113.06 147.66 18.53 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.668 -1.373 . . . . 10.0 109.668 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.04 90.97 7.09 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.518 -0.989 . . . . 10.0 110.09 179.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.604 ' O ' HD12 ' A' ' 8' ' ' ILE . 14.1 t90 -83.04 -40.95 19.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.42 -0.8 . . . . 10.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.31 -39.27 72.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.574 -0.704 . . . . 10.0 110.12 179.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -33.47 74.35 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.559 -0.713 . . . . 10.0 110.151 179.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.47 -38.14 89.97 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 10.0 110.165 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 4' ' ' TRP . 2.4 mp -85.09 -45.54 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.268 -0.895 . . . . 10.0 109.995 179.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -57.81 -41.54 82.39 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.596 -0.69 . . . . 10.0 110.68 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.88 -43.07 90.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.461 -0.774 . . . . 10.0 109.983 179.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 81.2 t90 -66.95 -39.99 87.41 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.551 -0.718 . . . . 10.0 109.932 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 66.4 mt -60.96 -37.6 77.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 10.0 109.4 179.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 t -67.25 -42.18 84.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.592 -0.692 . . . . 10.0 109.911 179.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -44.84 86.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.404 -0.81 . . . . 10.0 109.171 179.065 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 74.8 t -64.1 -33.13 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.824 -0.806 . . . . 10.0 108.824 178.234 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -38.17 79.24 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.731 -0.606 . . . . 10.0 109.516 178.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -46.93 85.28 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 179.032 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -67.45 -41.77 84.15 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.609 -0.682 . . . . 10.0 109.412 178.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.77 -42.01 64.6 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.681 -0.637 . . . . 10.0 109.997 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -59.3 -38.1 79.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.649 -0.657 . . . . 10.0 110.371 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -87.39 -39.57 15.17 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.323 -0.861 . . . . 10.0 110.088 179.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -57.75 -46.02 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.541 -0.724 . . . . 10.0 109.974 179.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 23' ' ' LEU . 4.0 mm? -64.94 -41.11 95.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.705 -0.622 . . . . 10.0 110.233 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -72.4 -32.12 66.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.332 -0.855 . . . . 10.0 110.052 179.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.1 -37.18 75.32 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.43 -0.794 . . . . 10.0 110.188 179.659 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -76.0 -34.5 59.74 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.383 -0.823 . . . . 10.0 110.589 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -86.51 -51.21 6.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.404 -0.81 . . . . 10.0 110.245 -179.718 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 37.2 mtt 50.06 61.47 13.56 Favored Pre-proline 0 N--CA 1.501 2.107 0 O-C-N 121.722 -0.611 . . . . 10.0 110.671 -179.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 27' ' ' LEU . 45.7 Cg_endo -74.33 178.69 6.68 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 O-C-N 123.675 1.355 . . . . 10.0 111.188 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -76.56 -27.35 55.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.635 -0.666 . . . . 10.0 110.415 179.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 118.186 -0.911 . . . . 10.0 110.207 179.865 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 120.839 0.352 . . . . 10.0 110.471 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.03 -80.02 0.05 OUTLIER Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.028 -1.229 . . . . 10.0 110.028 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 t -100.35 170.39 8.45 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.434 -1.039 . . . . 10.0 110.66 -179.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -6.37 49.01 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.663 -0.648 . . . . 10.0 111.108 179.768 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mt -107.71 -26.75 10.68 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.142 -0.973 . . . . 10.0 110.383 179.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -77.03 -39.92 48.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.291 -0.881 . . . . 10.0 110.104 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.34 -31.97 73.38 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.338 -0.851 . . . . 10.0 110.033 179.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.0 mt -74.33 -32.75 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.331 -0.856 . . . . 10.0 109.656 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.628 ' HA ' HD12 ' A' ' 12' ' ' ILE . 25.8 t-105 -53.59 -52.08 60.96 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.429 -0.794 . . . . 10.0 110.229 179.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.64 -40.73 95.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.518 -0.739 . . . . 10.0 109.816 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -60.21 -38.65 83.96 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.548 -0.72 . . . . 10.0 109.692 179.064 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 9' ' ' TRP . 31.3 mt -62.12 -36.7 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.997 -0.742 . . . . 10.0 108.997 178.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -62.51 -38.91 91.76 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.573 -0.705 . . . . 10.0 109.169 178.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -72.11 -44.78 62.65 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.613 -0.679 . . . . 10.0 109.434 178.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.5 t -64.78 -26.48 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.972 -0.455 . . . . 10.0 110.153 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 tt -55.52 -43.95 76.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.293 -0.879 . . . . 10.0 109.765 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 t -64.32 -39.58 94.2 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.387 -0.821 . . . . 10.0 109.245 178.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.81 -36.95 76.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.61 -0.681 . . . . 10.0 109.976 178.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -41.46 41.1 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 10.0 110.128 179.764 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -59.63 -42.47 92.77 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.659 -0.651 . . . . 10.0 109.526 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -78.18 -40.55 37.35 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 10.0 109.495 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -54.32 -48.49 71.28 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.771 -0.581 . . . . 10.0 109.697 179.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -43.43 98.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.663 -0.648 . . . . 10.0 109.863 179.378 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -35.54 80.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -0.798 . . . . 10.0 110.056 179.218 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -34.06 66.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.605 -0.684 . . . . 10.0 110.445 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -98.36 -21.77 16.44 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.331 -0.856 . . . . 10.0 110.272 179.326 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 ' HB3' ' HE3' ' A' ' 28' ' ' MET . 0.9 OUTLIER -65.35 -47.25 77.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.324 -0.86 . . . . 10.0 110.56 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.676 ' CB ' ' HD3' ' A' ' 29' ' ' PRO . 3.1 mtm -97.47 -66.1 0.08 OUTLIER Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.213 -0.929 . . . . 10.0 110.262 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.676 ' HD3' ' CB ' ' A' ' 28' ' ' MET . 48.1 Cg_endo -85.3 -164.0 0.22 Allowed 'Trans proline' 0 N--CA 1.483 0.886 0 O-C-N 123.106 1.056 . . . . 10.0 110.507 179.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -99.3 -39.09 8.59 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.331 -0.856 . . . . 10.0 110.145 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.494 1.747 0 CA-C-O 118.146 -0.93 . . . . 10.0 110.173 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 120.8 0.333 . . . . 10.0 110.577 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.28 -144.82 6.21 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 109.755 -1.338 . . . . 10.0 109.755 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 p -80.51 154.32 27.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.366 -1.079 . . . . 10.0 110.377 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -22.88 15.9 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.366 -0.834 . . . . 10.0 110.696 -179.833 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.64 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -58.48 -39.47 80.08 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.345 -0.847 . . . . 10.0 109.909 179.518 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -39.81 91.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.573 -0.704 . . . . 10.0 109.706 179.256 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.18 -41.39 99.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.632 -0.668 . . . . 10.0 109.854 179.251 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 5' ' ' LEU . 16.3 mt -66.19 -33.26 62.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.501 -0.749 . . . . 10.0 109.95 179.355 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.543 ' HA ' HD12 ' A' ' 12' ' ' ILE . 24.9 t-105 -57.25 -40.77 78.31 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.396 -0.815 . . . . 10.0 110.24 179.691 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.14 -42.66 98.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.553 -0.717 . . . . 10.0 109.628 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.509 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 81.5 t90 -67.64 -37.78 82.91 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.669 -0.644 . . . . 10.0 109.868 179.153 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 9' ' ' TRP . 43.1 mt -60.82 -35.29 63.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.416 -0.803 . . . . 10.0 109.61 179.285 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.1 t -73.55 -32.13 64.01 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.523 -0.736 . . . . 10.0 110.064 179.082 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -37.05 72.56 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 10.0 109.934 179.366 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.509 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 55.4 t -77.8 -16.9 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.616 -0.678 . . . . 10.0 110.664 179.707 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tt -48.44 -46.32 37.51 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.362 -0.837 . . . . 10.0 110.468 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.6 p -73.14 -40.43 64.9 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.301 -0.874 . . . . 10.0 109.721 178.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -59.53 -34.45 72.67 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.746 -0.596 . . . . 10.0 110.399 179.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -38.9 56.13 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.454 -0.778 . . . . 10.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -60.17 -42.73 95.6 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.439 -0.788 . . . . 10.0 110.224 179.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -39.76 18.63 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.465 -0.772 . . . . 10.0 110.379 179.729 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -58.35 -49.89 75.59 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.412 -0.805 . . . . 10.0 109.886 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.22 -34.31 77.37 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.672 -0.643 . . . . 10.0 109.955 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -39.38 94.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.359 -0.838 . . . . 10.0 109.718 179.19 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.89 -22.74 58.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.544 -0.722 . . . . 10.0 110.57 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -14.01 60.15 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.283 -0.886 . . . . 10.0 111.212 179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.72 -36.61 62.44 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.148 -0.97 . . . . 10.0 110.459 179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.4 ttt -112.33 89.69 12.84 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.525 -0.735 . . . . 10.0 109.882 179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -73.09 -178.46 3.58 Favored 'Trans proline' 0 C--N 1.314 -1.24 0 O-C-N 123.833 1.438 . . . . 10.0 111.295 -179.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -144.13 -52.26 0.32 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.581 -0.699 . . . . 10.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.909 -1.043 . . . . 10.0 110.263 179.958 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.864 0.364 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.68 -91.34 2.17 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.467 -1.453 . . . . 10.0 109.467 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 p -81.25 67.1 7.05 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.521 -0.988 . . . . 10.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -132.48 40.14 3.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.496 -0.752 . . . . 10.0 110.013 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.25 -40.54 23.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.449 -0.782 . . . . 10.0 110.18 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -38.01 84.65 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.625 -0.672 . . . . 10.0 110.476 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -4.58 45.59 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.457 -0.777 . . . . 10.0 110.943 179.584 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 mm -101.47 -33.19 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 121.121 -0.987 . . . . 10.0 109.216 178.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.511 ' CE3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -56.19 -45.61 79.74 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.443 -0.785 . . . . 10.0 110.562 179.911 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.32 -34.95 74.53 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.276 -0.89 . . . . 10.0 109.224 178.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.6 t90 -74.07 -36.98 64.36 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.593 -0.692 . . . . 10.0 109.372 178.691 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.9 mm -56.92 -40.29 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.474 -0.766 . . . . 10.0 108.936 178.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.0 t -63.77 -39.33 94.01 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.738 -0.601 . . . . 10.0 109.413 178.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -43.91 84.46 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.663 -0.648 . . . . 10.0 109.797 178.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.49 -36.0 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.615 -0.678 . . . . 10.0 109.733 179.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.7 -40.08 71.91 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.621 -0.674 . . . . 10.0 110.194 179.643 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 m -61.79 -43.58 98.56 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.468 -0.77 . . . . 10.0 109.556 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -72.02 -34.92 69.21 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.457 -0.777 . . . . 10.0 109.392 178.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -39.97 63.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 10.0 109.581 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -47.84 83.97 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 109.238 -0.653 . . . . 10.0 109.238 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.29 -38.18 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.589 -0.694 . . . . 10.0 109.765 179.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -54.75 -49.26 71.26 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.701 -0.624 . . . . 10.0 109.562 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mp -65.07 -34.2 77.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.846 -0.534 . . . . 10.0 110.07 179.323 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -60.46 -39.43 87.58 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.464 -0.772 . . . . 10.0 109.897 179.233 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.31 -28.1 59.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.709 . . . . 10.0 110.074 179.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.95 -21.38 66.46 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.468 -0.77 . . . . 10.0 110.866 179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.06 -167.98 0.69 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.177 -0.952 . . . . 10.0 110.128 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.438 ' HB3' ' O ' ' A' ' 27' ' ' LEU . 11.1 tpt 70.51 137.37 0.05 OUTLIER Pre-proline 0 N--CA 1.506 2.36 0 O-C-N 121.762 -0.586 . . . . 10.0 110.621 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -72.7 -177.73 3.01 Favored 'Trans proline' 0 C--N 1.316 -1.157 0 O-C-N 123.708 1.373 . . . . 10.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.42 57.09 5.14 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.777 -0.577 . . . . 10.0 110.477 -179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 118.303 -0.856 . . . . 10.0 110.371 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 120.886 0.374 . . . . 10.0 110.414 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.77 -146.82 6.95 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.641 -1.383 . . . . 10.0 109.641 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t 57.71 97.04 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.933 -0.745 . . . . 10.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -32.37 65.04 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.45 -0.781 . . . . 10.0 110.54 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mt -56.67 -43.44 80.41 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.487 -0.758 . . . . 10.0 109.929 179.34 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -65.55 -38.37 89.42 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.499 -0.751 . . . . 10.0 109.675 179.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.12 -34.49 73.59 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.681 -0.637 . . . . 10.0 110.173 179.483 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 12' ' ' ILE . 20.3 mt -80.31 -38.67 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.387 -0.821 . . . . 10.0 110.316 179.707 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.54 ' HA ' HD12 ' A' ' 12' ' ' ILE . 24.2 t-105 -55.24 -48.53 73.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.415 -0.803 . . . . 10.0 110.695 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.53 -41.43 97.32 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.354 -0.841 . . . . 10.0 109.574 179.344 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 84.5 t90 -61.32 -40.37 93.98 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.697 -0.627 . . . . 10.0 109.782 179.17 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 9' ' ' TRP . 45.8 mt -63.0 -36.42 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.478 -0.764 . . . . 10.0 109.434 179.137 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.3 t -70.24 -39.47 75.04 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.491 -0.756 . . . . 10.0 110.119 179.253 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.38 -40.56 96.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.377 -0.827 . . . . 10.0 110.059 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' TRP . 78.1 t -62.86 -39.68 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.728 -0.607 . . . . 10.0 109.469 179.263 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.75 -43.81 97.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.614 -0.679 . . . . 10.0 109.532 179.042 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 42.4 m -62.15 -40.81 97.23 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.575 -0.703 . . . . 10.0 109.609 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -62.81 -42.64 99.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.586 -0.696 . . . . 10.0 109.617 179.204 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -40.39 74.97 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.695 -0.628 . . . . 10.0 109.578 179.01 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -63.26 -42.1 99.12 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.766 -0.584 . . . . 10.0 109.551 179.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.6 m -70.68 -36.1 73.15 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.514 -0.741 . . . . 10.0 109.649 179.195 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 26' ' ' LYS . 2.1 t90 -54.84 -49.2 71.66 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.803 -0.56 . . . . 10.0 109.802 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -71.88 -37.06 70.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.772 -0.58 . . . . 10.0 110.063 179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.64 -39.78 94.92 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.305 -0.872 . . . . 10.0 109.676 179.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.27 83.15 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.576 -0.703 . . . . 10.0 110.061 179.316 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 22' ' ' TRP . 8.8 mtpt -62.53 -33.09 74.22 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.515 -0.741 . . . . 10.0 110.326 179.533 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.69 -35.85 73.27 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.49 -0.756 . . . . 10.0 110.445 179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.1 ttm -69.07 124.31 90.1 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.477 -0.765 . . . . 10.0 110.032 179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.58 -178.5 3.76 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 O-C-N 123.833 1.438 . . . . 10.0 111.157 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.18 158.52 24.12 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.478 -0.764 . . . . 10.0 110.47 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 118.179 -0.915 . . . . 10.0 110.135 179.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 m . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.08 0.467 . . . . 10.0 110.224 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.22 -81.78 0.14 Allowed Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.357 -1.497 . . . . 10.0 109.357 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 p -92.99 51.93 1.75 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.419 -1.048 . . . . 10.0 110.3 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -15.88 59.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.371 -0.831 . . . . 10.0 110.899 179.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.687 ' O ' HG22 ' A' ' 8' ' ' ILE . 1.2 mp -58.85 -33.48 70.49 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.296 -0.878 . . . . 10.0 110.169 179.692 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -34.16 41.78 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.27 -0.894 . . . . 10.0 109.4 178.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.87 -34.23 75.1 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.728 -0.607 . . . . 10.0 110.376 179.341 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 5' ' ' LEU . 2.7 tp -62.93 -25.0 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.301 -0.875 . . . . 10.0 110.768 179.914 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.498 ' HA ' HD12 ' A' ' 12' ' ' ILE . 17.3 t-105 -57.41 -42.47 82.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.33 -0.856 . . . . 10.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.25 -46.61 86.07 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.455 -0.778 . . . . 10.0 109.314 179.213 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -59.77 -39.78 86.01 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.605 -0.684 . . . . 10.0 109.589 179.011 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 9' ' ' TRP . 27.5 mt -59.65 -37.13 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.824 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 t -68.79 -38.01 79.69 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.567 -0.708 . . . . 10.0 109.523 178.584 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -42.99 99.88 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.507 -0.745 . . . . 10.0 109.551 179.066 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.98 -30.94 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.742 -0.598 . . . . 10.0 109.678 178.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.37 -36.0 79.01 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.592 -0.693 . . . . 10.0 109.761 179.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -70.68 -44.04 67.85 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.428 -0.795 . . . . 10.0 109.149 178.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -65.06 -27.08 68.54 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.577 -0.702 . . . . 10.0 109.842 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.82 -35.18 63.65 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.37 -0.831 . . . . 10.0 109.61 178.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -59.0 -49.27 78.54 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.575 -0.703 . . . . 10.0 109.154 178.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -39.75 75.84 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.431 -0.793 . . . . 10.0 109.089 178.401 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -56.73 -51.83 67.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.825 -0.547 . . . . 10.0 109.62 178.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.48 -34.81 74.58 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.786 -0.571 . . . . 10.0 110.039 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -36.36 80.05 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.435 -0.79 . . . . 10.0 109.847 179.23 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.73 -28.85 33.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.544 -0.723 . . . . 10.0 109.762 178.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.44 -17.38 62.63 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.541 -0.724 . . . . 10.0 110.571 179.217 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -54.51 -28.93 48.6 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.468 -0.77 . . . . 10.0 110.821 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -62.08 166.9 5.65 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.472 -0.767 . . . . 10.0 110.325 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.4 -89.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.717 1.378 . . . . 10.0 110.952 -179.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.98 178.08 8.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.19 -0.944 . . . . 10.0 110.69 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 117.843 -1.075 . . . . 10.0 110.15 179.727 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 121.125 0.488 . . . . 10.0 110.282 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.48 98.65 0.14 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.671 -1.372 . . . . 10.0 109.671 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p 37.03 45.0 0.42 Allowed 'General case' 0 N--CA 1.506 2.374 0 O-C-N 122.211 -0.582 . . . . 10.0 111.796 179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -72.9 0.7 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.355 -0.84 . . . . 10.0 109.478 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tp -87.28 -3.59 59.04 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.344 -0.848 . . . . 10.0 110.389 178.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -18.93 18.5 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.275 -0.891 . . . . 10.0 110.581 179.755 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.56 -50.46 4.07 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.328 -0.858 . . . . 10.0 110.366 -179.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.436 HG22 ' CD1' ' A' ' 12' ' ' ILE . 96.8 mt -56.57 -37.18 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.681 -0.637 . . . . 10.0 110.863 -179.418 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.505 ' HA ' HD12 ' A' ' 12' ' ' ILE . 14.0 t-105 -53.17 -46.5 68.94 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.401 -0.812 . . . . 10.0 110.596 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.26 -43.42 96.18 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.503 -0.748 . . . . 10.0 109.774 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -65.79 -38.49 89.14 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.695 -0.628 . . . . 10.0 109.799 179.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 9' ' ' TRP . 52.1 mt -60.22 -39.97 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.419 -0.801 . . . . 10.0 109.404 179.06 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.7 t -66.52 -36.06 81.77 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 10.0 109.468 178.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.78 -34.73 77.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.49 -0.756 . . . . 10.0 109.772 178.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 t -88.7 -25.97 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.721 -0.612 . . . . 10.0 110.17 179.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.89 -46.1 71.29 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.386 -0.821 . . . . 10.0 110.79 -179.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.8 p -60.77 -43.36 98.14 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.455 -0.778 . . . . 10.0 109.876 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -73.12 -33.65 65.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.521 -0.737 . . . . 10.0 109.979 179.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.25 -45.25 61.96 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.605 -0.684 . . . . 10.0 110.172 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -44.18 94.87 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.606 -0.684 . . . . 10.0 109.98 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -68.8 -38.49 79.99 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.524 -0.735 . . . . 10.0 109.906 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -55.59 -48.17 75.28 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.693 . . . . 10.0 109.666 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -71.75 -37.08 70.58 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.832 -0.543 . . . . 10.0 110.57 179.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -70.44 -34.95 73.05 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.298 -0.876 . . . . 10.0 110.711 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.4 -10.19 54.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.97 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.72 -52.29 3.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.132 -0.98 . . . . 10.0 110.798 -179.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -124.21 -47.82 1.87 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.263 -0.898 . . . . 10.0 110.859 -179.527 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.3 ttp 57.36 62.79 5.38 Favored Pre-proline 0 N--CA 1.501 2.094 0 O-C-N 121.638 -0.664 . . . . 10.0 110.335 -179.6 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -75.02 -161.55 0.13 Allowed 'Trans proline' 0 C--N 1.316 -1.168 0 O-C-N 123.763 1.402 . . . . 10.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.21 151.33 15.88 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.516 -0.74 . . . . 10.0 110.499 -179.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 N--CA 1.502 2.149 0 CA-C-O 118.65 -0.69 . . . . 10.0 110.619 -179.806 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.994 0.426 . . . . 10.0 110.298 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.68 -161.7 48.31 Favored Glycine 0 N--CA 1.495 2.601 0 N-CA-C 109.837 -1.305 . . . . 10.0 109.837 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -157.66 60.51 0.48 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.467 -1.02 . . . . 10.0 110.195 -179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -118.38 -178.24 3.48 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.33 -0.856 . . . . 10.0 110.226 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.95 -67.65 0.16 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.835 -0.541 . . . . 10.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.69 90.2 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.231 -0.918 . . . . 10.0 109.947 179.732 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.32 -39.37 89.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.645 -0.66 . . . . 10.0 109.826 179.146 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.4 mm -60.16 -43.03 92.19 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.479 -0.763 . . . . 10.0 109.558 179.377 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -68.29 -34.58 76.42 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.475 -0.765 . . . . 10.0 109.682 179.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -57.69 -43.4 85.08 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.583 -0.698 . . . . 10.0 109.245 179.114 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -69.74 -40.76 75.98 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 178.513 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' LEU . 46.1 mt -59.26 -38.41 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.692 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.0 t -64.47 -37.34 87.2 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.722 -0.611 . . . . 10.0 109.504 178.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.66 -48.05 82.4 Favored 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.613 0.72 . . . . 10.0 109.352 178.798 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 t -73.29 -31.37 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.909 -0.494 . . . . 10.0 109.914 179.102 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -58.52 -45.2 89.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.509 -0.745 . . . . 10.0 110.667 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -61.67 -40.85 96.41 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.391 -0.818 . . . . 10.0 109.95 179.828 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.27 -40.02 71.21 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.449 -0.782 . . . . 10.0 109.4 178.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -37.53 71.01 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 10.0 109.486 178.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -57.8 -45.55 85.91 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.772 -0.58 . . . . 10.0 109.549 178.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -70.44 -34.8 72.88 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.474 -0.766 . . . . 10.0 109.772 179.329 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -55.26 -49.51 71.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.595 -0.69 . . . . 10.0 109.506 179.147 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.84 -36.13 79.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.782 -0.574 . . . . 10.0 109.999 179.244 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -44.23 92.24 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.438 -0.788 . . . . 10.0 109.882 179.37 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.5 78.46 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.688 -0.632 . . . . 10.0 110.212 179.41 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -68.46 -30.99 69.97 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.504 -0.747 . . . . 10.0 110.143 179.428 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 tt -73.91 -59.25 2.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.449 -0.782 . . . . 10.0 109.785 179.643 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.8 ttt 66.67 137.99 0.05 OUTLIER Pre-proline 0 N--CA 1.503 2.202 0 O-C-N 122.028 -0.42 . . . . 10.0 111.266 179.541 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -73.29 -171.33 0.79 Allowed 'Trans proline' 0 C--N 1.315 -1.221 0 O-C-N 123.641 1.337 . . . . 10.0 110.838 179.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -116.0 -176.76 3.01 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.407 -0.808 . . . . 10.0 110.557 -180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 117.873 -1.06 . . . . 10.0 110.296 179.944 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 121.096 0.474 . . . . 10.0 110.356 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.93 133.12 12.53 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.71 -1.356 . . . . 10.0 109.71 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 p -103.49 99.9 9.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.51 -0.994 . . . . 10.0 110.441 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' HE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -100.65 14.71 30.57 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.357 -0.839 . . . . 10.0 110.713 179.883 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.5 mt -66.85 -52.06 48.06 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.167 -0.958 . . . . 10.0 109.523 179.367 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.515 ' HG2' ' HB2' ' A' ' 10' ' ' ASP . 0.2 OUTLIER -62.0 -36.38 81.34 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.593 -0.692 . . . . 10.0 109.182 178.652 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -58.07 -29.43 65.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.617 -0.677 . . . . 10.0 110.489 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.436 HD11 ' HE3' ' A' ' 4' ' ' TRP . 67.0 mt -102.11 -51.68 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.281 -0.887 . . . . 10.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -62.13 -52.55 63.39 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.498 -0.751 . . . . 10.0 110.88 -179.465 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.515 ' HB2' ' HG2' ' A' ' 6' ' ' ARG . 3.7 t70 -60.24 -37.57 80.76 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.38 -0.825 . . . . 10.0 110.099 179.892 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -64.11 -44.77 91.25 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.491 -0.756 . . . . 10.0 110.157 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.48 -35.06 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.333 -0.855 . . . . 10.0 109.212 179.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -68.36 -39.24 81.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.557 -0.715 . . . . 10.0 110.037 179.075 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -43.07 62.91 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.473 -0.767 . . . . 10.0 109.943 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.67 -48.33 87.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.72 -0.612 . . . . 10.0 109.687 179.3 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.86 -45.37 92.9 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.558 -0.714 . . . . 10.0 110.26 179.695 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -62.29 -41.04 98.16 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.356 -0.84 . . . . 10.0 109.6 179.323 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.57 -42.55 78.12 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.615 -0.678 . . . . 10.0 109.695 179.04 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.82 -44.62 49.44 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.709 -0.619 . . . . 10.0 110.42 179.887 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -37.4 87.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.711 -0.618 . . . . 10.0 110.549 179.732 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 m -82.88 -33.78 26.9 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.23 -0.919 . . . . 10.0 110.176 179.883 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -56.64 -49.51 74.8 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.595 -0.691 . . . . 10.0 109.603 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.51 -35.53 80.77 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.806 -0.559 . . . . 10.0 110.179 179.443 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -74.13 -32.39 63.15 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.387 -0.821 . . . . 10.0 110.7 179.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.8 -34.5 19.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.358 -0.839 . . . . 10.0 111.008 -179.558 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -86.92 -49.94 7.03 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.236 -0.915 . . . . 10.0 110.964 -179.483 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.64 -39.35 8.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.29 -0.881 . . . . 10.0 110.671 -179.609 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 ttt 57.18 66.05 3.3 Favored Pre-proline 0 N--CA 1.5 2.041 0 O-C-N 121.743 -0.598 . . . . 10.0 110.591 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' O ' ' HB2' ' A' ' 30' ' ' GLN . 49.7 Cg_endo -78.25 -161.93 0.16 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.798 1.42 . . . . 10.0 110.796 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 5.4 mm-40 64.49 109.57 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.301 0 CA-C-O 121.308 0.575 . . . . 10.0 111.027 179.763 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.102 0 CA-C-O 118.225 -0.893 . . . . 10.0 111.046 179.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.19 0.519 . . . . 10.0 110.115 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.14 46.06 1.08 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.749 -1.34 . . . . 10.0 109.749 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p 46.01 -149.12 0.1 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.878 -0.778 . . . . 10.0 111.031 179.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.503 ' HZ3' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -82.23 -5.77 58.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.238 -0.914 . . . . 10.0 110.638 179.587 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.565 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.2 mp -60.2 -35.79 76.2 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.201 -0.937 . . . . 10.0 109.9 179.404 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -31.84 70.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.296 -0.878 . . . . 10.0 109.245 178.588 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.6 -36.73 25.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.731 -0.606 . . . . 10.0 110.845 179.786 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 5' ' ' LEU . 6.6 tp -66.33 -28.37 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.323 -0.86 . . . . 10.0 110.936 -179.595 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.506 ' HE3' ' HA ' ' A' ' 9' ' ' TRP . 2.3 t-105 -64.54 -53.87 41.09 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.216 -0.928 . . . . 10.0 109.716 179.776 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.99 -38.98 93.05 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.725 . . . . 10.0 109.745 178.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 80.3 t90 -65.23 -42.95 92.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.504 -0.747 . . . . 10.0 110.155 179.475 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.66 -37.8 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.366 -0.834 . . . . 10.0 109.28 179.112 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -65.93 -34.6 78.49 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.522 -0.736 . . . . 10.0 109.656 178.844 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.98 -45.14 62.07 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.551 -0.718 . . . . 10.0 109.973 179.301 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 54.5 t -71.08 -30.28 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.761 -0.587 . . . . 10.0 110.508 179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.9 -45.67 78.57 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.46 -0.775 . . . . 10.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -42.58 99.7 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.5 -0.75 . . . . 10.0 109.778 179.512 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -67.14 -44.35 80.05 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.485 -0.759 . . . . 10.0 109.517 179.063 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -48.16 -41.98 28.36 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.697 -0.627 . . . . 10.0 110.328 179.623 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -61.26 -42.57 98.85 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.588 -0.695 . . . . 10.0 110.542 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -84.57 -40.16 17.89 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.257 -0.902 . . . . 10.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -56.43 -44.2 80.16 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.577 -0.702 . . . . 10.0 110.141 179.716 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' HA ' HD13 ' A' ' 23' ' ' LEU . 3.6 mm? -66.82 -37.62 84.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.812 -0.555 . . . . 10.0 110.509 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -77.94 -35.84 49.98 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.194 -0.941 . . . . 10.0 110.245 179.648 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.68 -22.5 61.65 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.518 -0.739 . . . . 10.0 110.814 179.737 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -64.1 -40.95 97.33 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.236 -0.915 . . . . 10.0 110.624 -179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 123.32 30.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.392 -0.817 . . . . 10.0 110.41 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.508 ' CB ' ' CD ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -161.02 -63.19 0.02 OUTLIER Pre-proline 0 N--CA 1.498 1.94 0 O-C-N 121.384 -0.822 . . . . 10.0 110.836 -179.878 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.508 ' CD ' ' CB ' ' A' ' 28' ' ' MET . 40.6 Cg_endo -69.7 -78.58 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.154 0 O-C-N 123.485 1.255 . . . . 10.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 57.54 -165.88 0.15 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.565 -0.709 . . . . 10.0 110.7 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 118.228 -0.892 . . . . 10.0 110.269 -179.888 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 120.753 0.311 . . . . 10.0 110.495 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -105.8 -179.39 23.61 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.994 -1.242 . . . . 10.0 109.994 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -102.4 101.94 12.22 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.28 -1.129 . . . . 10.0 110.187 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -32.79 74.36 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.504 -0.748 . . . . 10.0 110.679 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mp -59.61 -41.28 90.03 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.323 -0.861 . . . . 10.0 109.664 179.273 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -68.48 -36.87 79.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.628 -0.67 . . . . 10.0 109.641 179.04 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -59.11 -37.52 77.38 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.671 -0.643 . . . . 10.0 110.353 179.495 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.9 mt -87.62 -43.63 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.376 -0.828 . . . . 10.0 110.209 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 21.5 t-105 -59.87 -39.4 85.13 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.523 -0.736 . . . . 10.0 110.553 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -59.55 -47.18 86.54 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.453 -0.779 . . . . 10.0 110.045 179.587 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -62.64 -41.72 99.19 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.502 -0.749 . . . . 10.0 110.027 179.526 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.9 mt -58.65 -36.25 59.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.379 -0.826 . . . . 10.0 109.614 179.329 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 t -71.62 -39.14 70.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 10.0 110.184 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.03 96.65 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.331 -0.855 . . . . 10.0 109.998 179.535 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.39 -34.44 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.729 -0.607 . . . . 10.0 109.883 179.252 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tt -61.44 -44.28 97.4 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.491 -0.755 . . . . 10.0 109.803 179.475 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 m -64.45 -39.46 93.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.61 -0.681 . . . . 10.0 109.276 178.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.81 -40.58 79.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.599 -0.688 . . . . 10.0 109.341 178.715 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.06 -44.07 67.19 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.703 -0.623 . . . . 10.0 109.412 179.236 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -62.5 -46.69 87.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.738 -0.602 . . . . 10.0 109.585 178.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 m -65.69 -39.68 91.51 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.567 -0.708 . . . . 10.0 109.933 179.234 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -54.99 -48.01 73.87 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.622 -0.673 . . . . 10.0 109.496 179.226 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.43 -41.21 89.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.88 -0.513 . . . . 10.0 110.133 179.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.59 -41.94 92.28 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.428 -0.795 . . . . 10.0 109.995 179.632 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.89 81.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.519 -0.738 . . . . 10.0 110.399 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -77.78 -35.96 51.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.407 -0.808 . . . . 10.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.04 -29.77 43.72 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.5 -0.75 . . . . 10.0 110.764 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.0 tpt -62.08 120.67 59.99 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.361 -0.837 . . . . 10.0 110.341 -179.869 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' GLN . 46.1 Cg_endo -75.51 -178.88 4.59 Favored 'Trans proline' 0 C--N 1.316 -1.179 0 O-C-N 123.874 1.46 . . . . 10.0 110.84 179.885 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' PRO . 29.5 mt-30 60.1 -84.94 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.236 0 O-C-N 122.168 -0.333 . . . . 10.0 111.067 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.912 -1.042 . . . . 10.0 110.361 179.926 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 120.959 0.409 . . . . 10.0 110.358 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.58 28.89 37.59 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.625 -1.39 . . . . 10.0 109.625 -179.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -115.77 134.55 54.9 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.519 -0.989 . . . . 10.0 110.084 -179.854 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -97.1 -30.38 13.07 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.563 -0.71 . . . . 10.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mt -98.32 -50.05 4.47 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.272 -0.892 . . . . 10.0 110.392 -179.754 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -35.59 63.1 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.517 -0.74 . . . . 10.0 110.68 179.78 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -46.66 83.3 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.559 -0.713 . . . . 10.0 110.192 179.729 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.29 -45.49 98.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.649 -0.657 . . . . 10.0 109.845 179.601 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.521 ' HA ' HD12 ' A' ' 12' ' ' ILE . 41.1 m95 -59.86 -38.0 80.9 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.625 -0.672 . . . . 10.0 110.328 179.79 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.91 -46.06 89.6 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.556 -0.715 . . . . 10.0 109.81 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -62.42 -40.51 96.78 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.492 -0.755 . . . . 10.0 109.718 179.259 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 9' ' ' TRP . 51.9 mt -59.41 -33.76 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.506 -0.746 . . . . 10.0 109.264 179.065 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.88 -37.15 62.24 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.543 -0.723 . . . . 10.0 109.714 178.906 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.85 -38.4 88.08 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.518 -0.739 . . . . 10.0 109.967 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.51 -37.3 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.721 -0.612 . . . . 10.0 109.725 179.418 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.71 -47.15 76.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.569 -0.707 . . . . 10.0 110.433 179.858 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 p -62.9 -35.88 81.5 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.36 -0.838 . . . . 10.0 110.11 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.66 -44.75 85.35 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.446 -0.783 . . . . 10.0 109.596 179.175 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.56 -38.06 74.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.692 -0.63 . . . . 10.0 109.736 178.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -42.17 99.06 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.672 -0.642 . . . . 10.0 109.724 179.286 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -77.15 -33.08 56.7 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.502 -0.749 . . . . 10.0 109.875 179.343 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -55.18 -49.64 71.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.536 -0.727 . . . . 10.0 109.481 179.164 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.86 -38.68 89.46 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.891 -0.506 . . . . 10.0 110.007 179.219 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -63.18 -42.03 99.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.469 -0.769 . . . . 10.0 109.845 179.34 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.12 80.57 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.602 -0.686 . . . . 10.0 110.014 179.387 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -67.78 -39.87 84.04 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.513 -0.742 . . . . 10.0 110.21 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 tp -152.74 125.41 8.32 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.416 -0.803 . . . . 10.0 110.284 179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 mmm -146.51 83.92 8.03 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.625 -0.672 . . . . 10.0 110.141 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.73 176.02 9.95 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.795 1.418 . . . . 10.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.543 ' C ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -159.36 137.27 10.24 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.656 -0.653 . . . . 10.0 110.323 179.876 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 117.983 -1.008 . . . . 10.0 111.059 179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 120.997 0.427 . . . . 10.0 110.199 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.35 -167.79 43.55 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.859 -1.297 . . . . 10.0 109.859 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -148.72 91.12 1.84 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.435 -1.038 . . . . 10.0 110.112 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.437 ' CZ3' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -109.87 -33.53 6.7 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.247 -0.908 . . . . 10.0 110.892 -179.821 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.517 ' HA ' HD12 ' A' ' 8' ' ' ILE . 7.0 tp -80.31 -33.72 37.34 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.267 -0.896 . . . . 10.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -53.68 -50.12 66.53 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.489 -0.757 . . . . 10.0 110.553 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.75 -41.49 91.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.58 -0.7 . . . . 10.0 110.334 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 5' ' ' LEU . 85.7 mt -57.96 -44.15 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.471 -0.768 . . . . 10.0 109.829 179.588 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -59.06 -42.11 89.55 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.548 -0.72 . . . . 10.0 109.616 179.483 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.73 -44.79 73.07 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.674 -0.641 . . . . 10.0 109.313 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 83.5 t90 -56.56 -41.53 77.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.748 -0.595 . . . . 10.0 110.115 179.311 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mt -58.4 -36.92 60.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.49 -0.756 . . . . 10.0 109.434 179.051 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.3 t -70.99 -37.63 72.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.53 -0.732 . . . . 10.0 110.086 179.289 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.54 -41.72 88.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.443 -0.786 . . . . 10.0 110.2 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.421 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 93.1 t -67.47 -37.48 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.62 -0.675 . . . . 10.0 109.946 179.432 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tp -57.68 -45.32 85.76 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.455 -0.778 . . . . 10.0 109.948 179.625 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -35.96 61.52 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.535 -0.728 . . . . 10.0 109.541 178.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -64.6 -37.14 86.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.645 -0.659 . . . . 10.0 110.315 179.539 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -41.39 13.7 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.507 -0.746 . . . . 10.0 110.895 -179.794 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -67.51 -46.46 72.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.44 -0.788 . . . . 10.0 110.4 179.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 p -75.1 -34.11 61.7 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.26 -0.9 . . . . 10.0 110.355 179.769 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -56.09 -50.11 71.93 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.486 -0.759 . . . . 10.0 109.682 179.384 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.44 -40.7 96.24 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 120.358 -0.537 . . . . 10.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -64.99 -39.53 93.6 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.505 -0.747 . . . . 10.0 109.866 179.313 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.16 62.31 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.549 -0.719 . . . . 10.0 110.335 179.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.34 -42.61 71.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.433 -0.792 . . . . 10.0 110.564 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.16 135.56 30.96 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.345 -0.847 . . . . 10.0 110.532 -179.749 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.66 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -170.94 -58.3 0.0 OUTLIER Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 121.738 -0.601 . . . . 10.0 111.009 179.769 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 45.0 Cg_endo -71.27 -176.49 1.93 Allowed 'Trans proline' 0 N--CA 1.493 1.482 0 O-C-N 123.153 1.081 . . . . 10.0 111.594 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -73.47 -29.7 62.69 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.601 -0.687 . . . . 10.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 117.916 -1.04 . . . . 10.0 110.34 -179.998 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.136 0.493 . . . . 10.0 110.403 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.04 70.75 1.28 Allowed Glycine 0 N--CA 1.495 2.58 0 N-CA-C 109.654 -1.379 . . . . 10.0 109.654 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 p -79.67 113.28 17.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.395 -1.062 . . . . 10.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -80.73 0.76 33.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.357 -0.839 . . . . 10.0 111.045 179.716 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.6 tp -65.96 -22.7 66.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.064 -1.023 . . . . 10.0 110.43 179.485 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -42.71 91.71 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.279 -0.888 . . . . 10.0 110.164 179.531 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -80.97 -25.35 37.4 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.428 -0.795 . . . . 10.0 110.404 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.4 mt -79.61 -42.33 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.233 -0.917 . . . . 10.0 110.557 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.407 ' HA ' HD12 ' A' ' 12' ' ' ILE . 6.1 t-105 -56.0 -51.74 66.69 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.532 -0.73 . . . . 10.0 110.94 -179.373 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -60.34 -41.3 93.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.376 -0.828 . . . . 10.0 110.205 179.827 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.62 -42.8 93.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.541 -0.724 . . . . 10.0 109.884 179.263 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 9' ' ' TRP . 49.5 mt -61.36 -37.75 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.514 -0.741 . . . . 10.0 109.411 179.164 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 t -66.78 -39.0 87.64 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.502 -0.749 . . . . 10.0 109.934 179.295 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -40.18 93.66 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.503 -0.748 . . . . 10.0 110.014 179.504 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.762 -0.586 . . . . 10.0 109.829 179.276 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -56.76 -39.39 73.94 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.59 -0.694 . . . . 10.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.9 t -61.75 -44.24 97.29 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.511 -0.743 . . . . 10.0 109.664 179.379 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' O ' HG22 ' A' ' 21' ' ' THR . 7.2 t70 -72.54 -45.82 57.44 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 10.0 109.637 179.08 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.45 -37.42 11.65 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.574 -0.704 . . . . 10.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -46.28 90.08 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.461 -0.774 . . . . 10.0 110.356 179.56 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' ASP . 11.2 t -87.26 -31.23 20.37 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.312 -0.867 . . . . 10.0 110.022 179.353 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -59.41 -50.46 73.85 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.494 -0.754 . . . . 10.0 109.008 178.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 mt -65.7 -39.71 91.52 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.97 -0.456 . . . . 10.0 109.83 179.185 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -62.2 -44.32 96.84 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 10.0 110.088 179.506 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.58 80.35 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.719 . . . . 10.0 109.91 179.498 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -90.09 35.81 0.86 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 10.0 110.371 179.477 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.43 28.99 7.68 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.298 -0.876 . . . . 10.0 110.317 179.585 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.7 tpp -123.85 72.98 54.12 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.178 -0.951 . . . . 10.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -74.52 -178.42 4.01 Favored 'Trans proline' 0 C--N 1.314 -1.264 0 O-C-N 123.883 1.465 . . . . 10.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -114.38 154.78 27.48 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.55 -0.719 . . . . 10.0 110.278 179.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.891 -1.052 . . . . 10.0 110.3 -179.933 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 120.826 0.346 . . . . 10.0 110.534 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.68 -55.84 0.09 OUTLIER Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.977 -1.249 . . . . 10.0 109.977 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 p -82.37 67.25 8.33 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.403 -1.057 . . . . 10.0 110.441 -179.798 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.02 -18.94 59.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.356 -0.84 . . . . 10.0 111.036 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.03 -43.86 82.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.096 -1.002 . . . . 10.0 109.76 179.534 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -38.9 88.05 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.474 -0.766 . . . . 10.0 109.525 178.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.14 -43.56 82.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.66 -0.65 . . . . 10.0 109.762 179.199 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 12' ' ' ILE . 33.4 mt -66.87 -44.12 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.507 -0.746 . . . . 10.0 109.687 179.443 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -62.96 -39.08 93.58 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.63 -0.669 . . . . 10.0 109.993 179.487 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.11 -46.12 85.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.665 -0.647 . . . . 10.0 109.786 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -67.65 -41.02 84.47 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.426 -0.796 . . . . 10.0 109.763 179.09 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 8' ' ' ILE . 13.1 mt -57.72 -36.63 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.52 -0.737 . . . . 10.0 109.299 178.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.7 t -70.87 -38.95 73.13 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.536 -0.728 . . . . 10.0 109.573 178.708 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.0 -43.74 98.44 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.524 -0.735 . . . . 10.0 109.72 179.157 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.99 -35.2 74.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.773 -0.58 . . . . 10.0 109.741 179.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.1 tp -59.03 -44.58 91.75 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.438 -0.789 . . . . 10.0 109.613 179.295 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -67.0 -36.49 82.27 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.547 -0.721 . . . . 10.0 109.296 178.738 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.49 -40.82 69.97 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.567 -0.708 . . . . 10.0 110.012 179.359 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.33 -45.96 46.15 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.65 -0.657 . . . . 10.0 110.179 179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -46.32 90.28 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.689 -0.632 . . . . 10.0 109.664 179.242 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -71.59 -35.93 70.7 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.446 -0.783 . . . . 10.0 109.929 179.458 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.41 -47.59 81.33 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.534 -0.729 . . . . 10.0 109.525 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.66 -40.93 93.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.931 -0.48 . . . . 10.0 110.288 179.508 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -40.69 61.92 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.314 -0.866 . . . . 10.0 110.101 179.586 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.35 93.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.49 -0.756 . . . . 10.0 109.993 179.572 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 tttm -92.33 32.48 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.488 -0.758 . . . . 10.0 110.053 179.171 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.4 -53.63 2.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.39 -0.819 . . . . 10.0 109.957 179.935 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.42 ' N ' ' HD2' ' A' ' 29' ' ' PRO . 2.2 mtm -61.45 -56.05 37.18 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.6 -0.687 . . . . 10.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 28' ' ' MET . 42.0 Cg_endo -72.92 -79.45 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.095 0 O-C-N 123.556 1.292 . . . . 10.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 61.39 55.71 2.8 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.618 -0.676 . . . . 10.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 117.946 -1.026 . . . . 10.0 110.503 179.735 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 120.827 0.346 . . . . 10.0 110.324 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.62 -98.92 1.66 Allowed Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.484 -1.446 . . . . 10.0 109.484 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t 49.02 39.4 14.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.77 -0.841 . . . . 10.0 110.94 179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -66.09 -55.75 14.93 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.158 -0.964 . . . . 10.0 110.34 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.87 -43.96 94.45 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.402 -0.811 . . . . 10.0 110.297 179.901 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -63.47 -37.25 86.58 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.594 -0.691 . . . . 10.0 110.191 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.47 -46.79 81.58 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.586 -0.696 . . . . 10.0 110.246 179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.21 -44.12 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.491 -0.755 . . . . 10.0 109.962 179.871 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.485 ' HA ' HD12 ' A' ' 12' ' ' ILE . 5.4 m95 -65.12 -35.71 81.99 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.3 -0.875 . . . . 10.0 109.927 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.3 -42.91 99.45 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.545 -0.722 . . . . 10.0 109.549 179.005 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -65.46 -40.03 92.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.637 -0.664 . . . . 10.0 109.806 179.2 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 9' ' ' TRP . 52.7 mt -62.1 -38.23 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.591 -0.693 . . . . 10.0 109.527 179.244 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.1 t -68.25 -35.24 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.573 -0.705 . . . . 10.0 109.855 179.141 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.86 -43.43 83.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.585 -0.697 . . . . 10.0 109.791 179.333 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.1 t -69.51 -46.22 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.905 -0.497 . . . . 10.0 109.897 179.794 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -44.78 95.85 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.539 -0.726 . . . . 10.0 110.387 179.799 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 t -60.82 -44.36 97.0 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.462 -0.774 . . . . 10.0 109.853 179.536 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -68.93 -40.04 79.24 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.446 -0.784 . . . . 10.0 109.753 179.179 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.08 -43.34 20.09 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.587 -0.696 . . . . 10.0 110.489 179.728 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -43.94 97.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.579 -0.701 . . . . 10.0 110.157 179.49 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -78.11 -41.04 36.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.358 -0.839 . . . . 10.0 110.164 179.657 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -57.67 -41.6 81.87 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.5 -0.75 . . . . 10.0 110.233 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -19.85 59.4 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.673 -0.642 . . . . 10.0 111.363 -179.59 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -99.55 -37.79 9.02 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.008 -1.058 . . . . 10.0 110.817 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.93 -11.35 60.1 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.273 -0.892 . . . . 10.0 111.394 -179.776 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -49.8 7.02 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.949 -1.094 . . . . 10.0 110.497 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.3 -26.99 7.76 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.469 -0.769 . . . . 10.0 111.449 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 6.3 tpt 53.01 77.75 0.43 Allowed Pre-proline 0 N--CA 1.5 2.075 0 O-C-N 121.359 -0.838 . . . . 10.0 110.784 179.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -73.99 -176.14 2.49 Favored 'Trans proline' 0 C--N 1.314 -1.265 0 O-C-N 123.719 1.379 . . . . 10.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.8 166.4 25.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.51 -0.744 . . . . 10.0 110.568 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.508 2.447 0 CA-C-O 117.714 -1.136 . . . . 10.0 111.366 179.808 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 p . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.054 0.454 . . . . 10.0 110.333 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.47 141.08 4.99 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.814 -1.314 . . . . 10.0 109.814 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -103.02 48.83 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.409 -1.054 . . . . 10.0 110.346 179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -0.32 15.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.186 -0.946 . . . . 10.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.0 mm? -62.27 -50.1 73.05 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.137 -0.977 . . . . 10.0 109.95 179.836 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -36.63 80.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.526 -0.734 . . . . 10.0 109.566 179.009 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -58.51 -40.74 83.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.706 -0.621 . . . . 10.0 109.777 179.046 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mt -72.54 -32.85 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.58 -0.7 . . . . 10.0 110.169 179.352 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.415 ' HA ' HD12 ' A' ' 12' ' ' ILE . 9.3 t-105 -55.25 -53.24 58.52 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.405 -0.809 . . . . 10.0 110.271 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.22 -37.14 86.35 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.398 -0.814 . . . . 10.0 109.534 179.017 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CH2' HG21 ' A' ' 15' ' ' VAL . 86.4 t90 -59.34 -39.99 84.93 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.587 -0.696 . . . . 10.0 109.869 179.142 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 9' ' ' TRP . 36.2 mt -61.49 -37.99 79.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.481 -0.762 . . . . 10.0 109.278 179.001 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 t -67.44 -39.06 85.38 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.674 -0.641 . . . . 10.0 109.788 178.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.85 -35.95 82.79 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.415 -0.803 . . . . 10.0 109.643 179.114 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.425 HG21 ' CH2' ' A' ' 11' ' ' TRP . 58.5 t -81.72 -24.8 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.656 -0.652 . . . . 10.0 109.619 179.011 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -52.25 65.58 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.386 -0.821 . . . . 10.0 109.799 179.502 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 p -66.06 -38.08 87.44 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.478 -0.764 . . . . 10.0 109.348 178.801 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.0 -38.18 90.15 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.691 -0.63 . . . . 10.0 109.636 178.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -43.33 83.93 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 109.393 -0.595 . . . . 10.0 109.393 178.837 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -44.52 94.81 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.778 -0.576 . . . . 10.0 109.451 179.067 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.7 m -68.37 -35.42 77.69 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.544 -0.722 . . . . 10.0 109.724 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -56.84 -47.59 80.0 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.647 -0.658 . . . . 10.0 109.357 179.019 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.44 -42.91 99.5 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 109.69 -0.485 . . . . 10.0 109.69 179.151 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -66.3 -37.51 85.58 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.477 -0.764 . . . . 10.0 109.714 179.076 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.64 64.54 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.536 -0.728 . . . . 10.0 110.22 179.293 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -40.56 97.03 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.358 -0.839 . . . . 10.0 110.522 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pp -89.65 1.46 55.99 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.433 -0.792 . . . . 10.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.6 mtp -85.15 118.46 70.88 Favored Pre-proline 0 N--CA 1.496 1.837 0 O-C-N 121.12 -0.987 . . . . 10.0 110.233 179.726 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -74.92 -175.74 2.5 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.845 1.445 . . . . 10.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -137.15 148.69 46.78 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.516 -0.74 . . . . 10.0 110.402 179.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 CA-C-O 117.889 -1.053 . . . . 10.0 110.355 179.992 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 4' ' ' TRP . 29.3 t . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.135 0.493 . . . . 10.0 110.377 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.69 -49.95 2.83 Favored Glycine 0 N--CA 1.495 2.575 0 N-CA-C 109.458 -1.457 . . . . 10.0 109.458 179.664 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -93.62 54.29 2.0 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.521 -0.987 . . . . 10.0 110.183 179.786 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.42 ' CD1' ' HB3' ' A' ' 1' ' ' SER . 0.0 OUTLIER -95.19 -12.55 26.15 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.422 -0.799 . . . . 10.0 110.872 -179.957 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.645 ' O ' HG22 ' A' ' 8' ' ' ILE . 11.8 mt -58.96 -34.8 72.2 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.229 -0.919 . . . . 10.0 110.312 179.809 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -35.48 50.87 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.371 -0.83 . . . . 10.0 109.291 178.868 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -70.1 -37.36 75.38 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.753 -0.592 . . . . 10.0 110.615 179.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 5' ' ' LEU . 2.9 tp -61.16 -25.69 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.342 -0.849 . . . . 10.0 110.806 -179.802 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.445 ' HA ' HD12 ' A' ' 12' ' ' ILE . 16.3 t-105 -58.02 -41.97 84.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.338 -0.851 . . . . 10.0 110.47 -179.906 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.25 -47.11 85.81 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.418 -0.801 . . . . 10.0 109.307 179.186 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -59.14 -40.74 86.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.57 -0.706 . . . . 10.0 109.658 179.042 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 9' ' ' TRP . 39.4 mt -62.34 -36.08 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.481 -0.762 . . . . 10.0 109.359 178.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 t -68.9 -39.7 79.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.682 -0.636 . . . . 10.0 109.987 179.131 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.44 -37.46 85.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.524 -0.735 . . . . 10.0 109.735 179.284 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -79.14 -31.33 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 178.825 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.38 -45.43 91.48 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.582 -0.699 . . . . 10.0 110.351 179.693 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -65.66 -41.37 92.61 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.402 -0.811 . . . . 10.0 109.316 179.404 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -66.06 -44.77 83.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.695 -0.628 . . . . 10.0 109.699 179.074 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -38.48 63.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.703 -0.623 . . . . 10.0 109.893 179.457 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -40.19 96.76 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.544 -0.723 . . . . 10.0 109.891 179.097 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 m -81.28 -36.45 29.87 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.339 -0.85 . . . . 10.0 109.677 179.366 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -56.44 -50.09 72.67 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.617 -0.677 . . . . 10.0 109.28 179.05 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.14 -39.51 94.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.86 -0.525 . . . . 10.0 110.052 179.203 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -38.92 90.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.41 -0.806 . . . . 10.0 109.837 179.28 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.69 88.63 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.509 -0.744 . . . . 10.0 110.308 179.448 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -72.07 -33.41 67.91 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.418 -0.802 . . . . 10.0 110.441 179.811 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 tp -87.13 98.94 11.58 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.351 -0.843 . . . . 10.0 110.083 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.12 152.79 22.47 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.537 -0.727 . . . . 10.0 110.466 -179.855 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -77.93 -162.26 0.17 Allowed 'Trans proline' 0 C--N 1.315 -1.216 0 O-C-N 123.848 1.446 . . . . 10.0 110.508 179.809 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -66.59 -40.73 89.04 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.366 -0.834 . . . . 10.0 110.268 179.76 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.499 2.014 0 CA-C-O 118.465 -0.779 . . . . 10.0 110.842 179.769 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 120.796 0.332 . . . . 10.0 110.43 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.77 -122.23 10.14 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.778 -1.329 . . . . 10.0 109.778 179.885 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.17 72.07 2.44 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.476 -1.014 . . . . 10.0 110.071 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -97.67 24.9 6.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.808 . . . . 10.0 110.698 179.927 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.48 -46.04 74.14 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.272 -0.893 . . . . 10.0 109.968 179.58 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -35.86 82.05 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.528 -0.733 . . . . 10.0 109.582 179.376 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.34 -39.11 85.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.58 -0.7 . . . . 10.0 109.959 179.245 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.413 ' HA ' HD13 ' A' ' 8' ' ' ILE . 26.2 mm -68.11 -36.67 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.439 -0.788 . . . . 10.0 110.126 179.567 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.47 ' HA ' HD12 ' A' ' 12' ' ' ILE . 24.8 t-105 -55.75 -39.43 71.15 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.437 -0.789 . . . . 10.0 110.382 179.663 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.21 -46.42 83.95 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.4 -0.813 . . . . 10.0 109.29 179.033 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -62.34 -36.52 82.47 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.513 -0.742 . . . . 10.0 109.325 178.643 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 9' ' ' TRP . 18.6 mt -58.84 -35.21 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 178.537 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.3 t -65.08 -38.27 90.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.696 -0.627 . . . . 10.0 109.457 178.654 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.28 -45.92 85.91 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.47 -0.769 . . . . 10.0 109.449 178.788 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.04 -29.51 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.791 -0.568 . . . . 10.0 109.719 179.05 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 16' ' ' LEU . 1.1 tm? -59.92 -40.48 89.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.62 -0.675 . . . . 10.0 109.917 179.271 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -45.88 90.34 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.422 -0.798 . . . . 10.0 109.465 178.918 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.66 -33.5 66.61 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.645 -0.659 . . . . 10.0 109.557 178.679 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.42 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.71 -34.9 65.53 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.572 -0.705 . . . . 10.0 109.309 178.87 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -59.87 -42.92 94.78 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.694 -0.629 . . . . 10.0 109.506 178.842 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.01 -38.31 32.3 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.544 -0.722 . . . . 10.0 109.38 178.896 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -58.34 -50.19 74.53 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.672 -0.643 . . . . 10.0 109.556 179.073 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -36.09 82.81 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.876 -0.515 . . . . 10.0 110.239 179.474 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.26 -39.12 92.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.232 -0.918 . . . . 10.0 110.145 179.663 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.5 88.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.487 -0.758 . . . . 10.0 110.188 179.366 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -74.69 -24.18 58.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.423 -0.798 . . . . 10.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.73 -39.82 81.97 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.591 -0.693 . . . . 10.0 110.784 179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.47 120.72 70.34 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.414 -0.804 . . . . 10.0 109.902 179.737 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -70.95 178.32 5.44 Favored 'Trans proline' 0 C--N 1.315 -1.192 0 O-C-N 123.742 1.39 . . . . 10.0 111.146 -179.811 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.48 76.85 1.23 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.663 -0.648 . . . . 10.0 110.19 -179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.832 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.12 0.486 . . . . 10.0 110.479 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 114.84 55.53 0.38 Allowed Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.575 -1.41 . . . . 10.0 109.575 -179.931 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -107.16 87.56 2.53 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.484 -1.009 . . . . 10.0 110.095 179.926 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.475 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -92.47 -161.12 0.8 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 10.0 110.151 179.936 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 5.1 mt 67.55 -63.57 0.3 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.941 -0.475 . . . . 10.0 110.953 -179.774 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -61.37 -39.14 89.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.198 -0.939 . . . . 10.0 110.155 179.67 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -57.58 -33.54 68.29 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.576 -0.703 . . . . 10.0 110.012 179.256 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.464 HD11 ' CZ3' ' A' ' 4' ' ' TRP . 13.9 mt -76.55 -48.86 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.459 -0.776 . . . . 10.0 109.86 179.412 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.75 -42.81 97.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.461 -0.774 . . . . 10.0 110.48 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -59.93 -43.45 94.93 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.5 -0.75 . . . . 10.0 109.876 179.576 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.82 -37.64 84.91 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.449 -0.782 . . . . 10.0 109.806 179.189 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.01 -36.89 70.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.496 -0.752 . . . . 10.0 109.401 179.126 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.9 t -73.75 -38.02 64.87 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.574 -0.704 . . . . 10.0 109.894 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -43.77 97.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.39 -0.819 . . . . 10.0 109.757 179.415 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.42 -34.38 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.616 -0.677 . . . . 10.0 109.515 178.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -61.5 -43.75 98.31 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.482 -0.761 . . . . 10.0 109.039 178.919 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.3 t -70.22 -38.61 75.28 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.086 -0.709 . . . . 10.0 109.086 178.616 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.81 -30.42 69.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.75 -0.593 . . . . 10.0 110.577 179.504 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -33.16 20.58 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.296 -0.878 . . . . 10.0 110.451 179.604 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.52 19.55 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.497 -0.752 . . . . 10.0 109.975 179.207 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.7 m -74.28 -42.47 59.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.346 -0.846 . . . . 10.0 110.767 -179.754 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -55.78 -49.84 72.07 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.406 -0.809 . . . . 10.0 110.075 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.91 -30.98 67.47 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.712 -0.617 . . . . 10.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.13 -42.66 62.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.448 -0.782 . . . . 10.0 109.879 179.379 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.2 -26.81 68.3 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.762 . . . . 10.0 110.501 179.383 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -54.23 -41.62 68.92 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.466 -0.771 . . . . 10.0 110.307 179.66 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.15 34.48 2.33 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.46 -0.775 . . . . 10.0 110.146 179.434 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 mtp -132.65 85.03 48.7 Favored Pre-proline 0 N--CA 1.493 1.725 0 O-C-N 121.376 -0.827 . . . . 10.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.45 -179.93 4.93 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 O-C-N 123.758 1.399 . . . . 10.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -145.48 -52.48 0.27 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.946 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.167 -0.92 . . . . 10.0 110.234 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.2 t . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.069 0.461 . . . . 10.0 110.444 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.81 -91.71 0.08 OUTLIER Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.669 -1.372 . . . . 10.0 109.669 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 t -101.57 50.88 0.84 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.462 -1.022 . . . . 10.0 110.035 179.691 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -105.98 32.85 4.1 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.451 -0.781 . . . . 10.0 110.431 179.91 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.7 mt -112.43 -34.67 5.8 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.271 -0.893 . . . . 10.0 110.609 179.928 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -43.48 98.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.362 -0.836 . . . . 10.0 110.488 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -65.17 -37.59 87.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.334 -0.854 . . . . 10.0 110.197 179.563 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.2 mt -66.42 -46.81 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.446 -0.784 . . . . 10.0 109.371 179.519 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -60.09 -35.2 74.67 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.546 -0.721 . . . . 10.0 109.831 179.03 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.71 -47.57 84.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.637 -0.664 . . . . 10.0 109.811 179.246 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -64.53 -38.12 89.9 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.44 -0.787 . . . . 10.0 109.5 179.033 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.37 -33.31 56.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.489 -0.757 . . . . 10.0 109.146 178.84 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.0 t -62.4 -36.38 82.13 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 10.0 109.607 178.913 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -45.29 70.41 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.495 -0.753 . . . . 10.0 109.535 178.948 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.0 -32.13 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.734 -0.604 . . . . 10.0 109.663 178.856 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -39.03 84.74 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.575 -0.703 . . . . 10.0 109.935 179.495 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -61.99 -43.57 98.56 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.614 -0.678 . . . . 10.0 109.517 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.64 -35.99 62.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.509 -0.745 . . . . 10.0 109.662 178.737 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.27 -46.1 62.32 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.639 -0.663 . . . . 10.0 109.909 179.497 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 tpmp? -62.36 -44.87 95.47 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.69 -0.631 . . . . 10.0 110.016 179.394 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 m -67.36 -40.14 85.76 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.488 -0.757 . . . . 10.0 109.679 179.188 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -56.58 -47.34 79.73 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-O 121.335 0.588 . . . . 10.0 109.639 179.118 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -34.3 77.75 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.87 -0.519 . . . . 10.0 110.442 179.593 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.23 -38.43 91.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.36 -0.837 . . . . 10.0 110.029 179.683 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.09 -40.56 74.89 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.644 -0.66 . . . . 10.0 109.97 179.442 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -45.51 69.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.54 -0.725 . . . . 10.0 110.029 179.582 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -65.55 -31.12 72.0 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.561 -0.712 . . . . 10.0 110.357 179.697 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.8 ttm -117.87 77.22 11.63 Favored Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.373 -0.83 . . . . 10.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.15 -169.67 0.78 Allowed 'Trans proline' 0 C--N 1.316 -1.179 0 O-C-N 123.779 1.41 . . . . 10.0 110.731 179.926 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.27 57.48 4.48 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.442 -0.786 . . . . 10.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.964 -1.017 . . . . 10.0 110.22 -179.914 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.916 0.388 . . . . 10.0 110.426 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.84 156.68 7.26 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.604 -1.399 . . . . 10.0 109.604 -179.931 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.8 p -143.26 168.21 20.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.476 -1.014 . . . . 10.0 110.488 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -57.63 -32.17 66.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.503 -0.748 . . . . 10.0 110.494 179.549 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -43.17 98.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.285 -0.884 . . . . 10.0 109.827 179.368 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -27.24 69.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.523 -0.735 . . . . 10.0 110.163 179.235 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.05 -40.77 62.6 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.426 -0.796 . . . . 10.0 109.691 179.178 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.9 mt -72.92 -28.86 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.552 -0.718 . . . . 10.0 110.258 179.609 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.674 ' HA ' HD12 ' A' ' 12' ' ' ILE . 5.3 m95 -55.0 -46.15 75.13 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.404 -0.81 . . . . 10.0 110.687 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.61 -43.35 99.03 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.898 . . . . 10.0 109.395 179.18 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.41 -41.02 88.54 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.609 -0.682 . . . . 10.0 109.822 179.081 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 9' ' ' TRP . 44.5 mt -60.73 -37.26 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.418 -0.801 . . . . 10.0 109.415 179.008 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 t -68.35 -39.66 81.78 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.584 -0.698 . . . . 10.0 109.773 179.058 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.55 -40.57 97.34 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.55 -0.719 . . . . 10.0 109.975 179.492 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.91 -38.78 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.675 -0.641 . . . . 10.0 109.487 179.312 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tt -61.9 -39.61 92.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.505 -0.747 . . . . 10.0 109.41 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.8 t -62.57 -43.26 99.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.547 -0.721 . . . . 10.0 109.279 178.858 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.409 ' O ' HG22 ' A' ' 21' ' ' THR . 6.3 t70 -71.14 -45.28 63.88 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.596 -0.69 . . . . 10.0 109.546 178.902 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -35.41 16.83 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.586 -0.696 . . . . 10.0 110.364 179.693 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -47.42 77.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.503 -0.748 . . . . 10.0 110.288 179.352 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 18' ' ' ASP . 9.7 t -82.49 -29.0 30.81 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.271 -0.893 . . . . 10.0 110.154 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -61.06 -46.84 89.04 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.402 -0.811 . . . . 10.0 109.309 178.884 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.92 -43.29 96.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.893 -0.504 . . . . 10.0 110.097 179.372 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -34.32 77.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.547 -0.721 . . . . 10.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.06 -34.45 78.05 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.507 -0.746 . . . . 10.0 110.138 179.199 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -82.86 -7.74 59.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.405 -0.81 . . . . 10.0 110.622 179.25 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tp -85.5 -145.37 0.1 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.408 -0.807 . . . . 10.0 110.041 179.845 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.63 0.24 Allowed Pre-proline 0 N--CA 1.5 2.069 0 O-C-N 121.396 -0.815 . . . . 10.0 110.598 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -75.91 -89.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.379 0 O-C-N 123.831 1.438 . . . . 10.0 110.246 179.784 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -98.47 -17.89 18.51 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.271 -0.893 . . . . 10.0 110.426 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.287 -0.864 . . . . 10.0 110.342 179.754 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.127 0.489 . . . . 10.0 110.425 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.77 146.58 40.34 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.565 -1.414 . . . . 10.0 109.565 179.793 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.76 117.14 31.37 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.503 -0.998 . . . . 10.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.75 -0.64 29.1 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.559 -0.713 . . . . 10.0 110.829 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.53 -49.97 69.17 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.227 -0.921 . . . . 10.0 110.232 179.858 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -64.15 -33.58 76.11 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.544 -0.723 . . . . 10.0 109.807 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.18 -39.13 91.65 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.703 -0.623 . . . . 10.0 110.115 179.21 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -79.88 -46.14 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.412 -0.805 . . . . 10.0 109.928 179.543 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.403 ' HA ' HD12 ' A' ' 12' ' ' ILE . 19.3 t-105 -59.18 -42.67 91.38 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.732 . . . . 10.0 110.569 -179.926 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.96 -43.22 91.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.499 -0.751 . . . . 10.0 109.911 179.495 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.408 ' CZ2' HG21 ' A' ' 15' ' ' VAL . 85.0 t90 -66.38 -39.85 89.33 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.449 -0.782 . . . . 10.0 109.91 179.149 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 9' ' ' TRP . 58.1 mt -60.45 -34.97 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.335 -0.853 . . . . 10.0 109.597 179.378 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.7 t -72.47 -38.26 68.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.521 -0.737 . . . . 10.0 110.156 179.243 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -44.65 83.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.385 -0.822 . . . . 10.0 110.003 179.558 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG21 ' CZ2' ' A' ' 11' ' ' TRP . 87.5 t -63.0 -33.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.648 -0.658 . . . . 10.0 109.851 179.249 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.8 tp -61.9 -50.51 71.9 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.513 -0.742 . . . . 10.0 109.516 179.413 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -64.22 -38.3 90.57 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.553 -0.717 . . . . 10.0 109.228 178.872 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.479 ' O ' HG22 ' A' ' 21' ' ' THR . 2.8 t70 -66.23 -41.05 90.58 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.654 -0.654 . . . . 10.0 109.507 178.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -36.1 74.95 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.382 -0.824 . . . . 10.0 109.535 178.912 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -62.66 -43.41 98.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.724 -0.61 . . . . 10.0 110.153 179.354 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 18' ' ' ASP . 13.9 t -82.26 -26.35 33.26 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 10.0 110.058 179.346 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' HE3' HD12 ' A' ' 23' ' ' LEU . 42.5 t90 -61.55 -48.12 82.43 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.307 -0.87 . . . . 10.0 109.329 178.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 mp -65.09 -34.87 79.44 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.86 -0.525 . . . . 10.0 109.912 179.379 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -67.18 -32.49 73.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.486 -0.759 . . . . 10.0 109.849 179.159 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.67 -46.5 58.68 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.525 -0.734 . . . . 10.0 110.208 179.648 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HE2' HD23 ' A' ' 27' ' ' LEU . 10.7 ptmt -69.76 -31.86 70.05 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.43 -0.794 . . . . 10.0 110.524 179.787 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD23 ' HE2' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -109.04 71.61 0.78 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.292 -0.88 . . . . 10.0 109.739 179.78 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.25 150.03 76.71 Favored Pre-proline 0 N--CA 1.498 1.951 0 O-C-N 121.611 -0.681 . . . . 10.0 110.618 -179.824 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -74.13 -177.25 3.11 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.832 1.438 . . . . 10.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -117.99 138.83 51.92 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.463 -0.773 . . . . 10.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 117.927 -1.035 . . . . 10.0 110.346 179.957 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 120.773 0.321 . . . . 10.0 110.52 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.58 177.89 34.88 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.896 -1.282 . . . . 10.0 109.896 -179.888 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.42 105.49 5.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.422 -1.046 . . . . 10.0 110.064 179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -10.6 15.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.366 -0.834 . . . . 10.0 111.151 -179.857 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 5' ' ' LEU . 3.0 mm? -58.22 -47.45 83.47 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.134 -0.979 . . . . 10.0 110.121 179.78 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -35.81 76.84 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.825 . . . . 10.0 109.75 179.237 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -67.71 -39.55 84.33 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.626 -0.672 . . . . 10.0 110.073 179.241 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 8' ' ' ILE . 22.7 mm -57.4 -38.09 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.444 -0.785 . . . . 10.0 110.112 179.66 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.555 ' HA ' HD12 ' A' ' 12' ' ' ILE . 37.8 t-105 -56.9 -43.04 80.96 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.377 -0.827 . . . . 10.0 109.711 179.273 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.44 -38.21 84.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.598 -0.689 . . . . 10.0 109.333 178.746 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -64.91 -36.49 84.53 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.584 -0.698 . . . . 10.0 109.766 179.074 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 9' ' ' TRP . 45.8 mt -63.08 -36.1 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.374 -0.829 . . . . 10.0 109.235 179.002 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -70.64 -33.42 70.96 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.57 -0.706 . . . . 10.0 109.93 179.15 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -36.93 80.29 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.429 -0.794 . . . . 10.0 110.03 179.318 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.0 t -80.0 -19.24 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.694 -0.629 . . . . 10.0 110.287 179.506 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -54.17 -40.62 67.66 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.422 -0.799 . . . . 10.0 111.0 -179.715 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 p -60.26 -43.42 96.17 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.313 -0.867 . . . . 10.0 110.024 179.598 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.46 -40.4 85.34 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.555 -0.716 . . . . 10.0 109.712 179.128 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.06 71.2 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.493 -0.754 . . . . 10.0 109.347 178.867 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -42.48 99.07 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.668 -0.645 . . . . 10.0 109.454 178.817 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 m -74.73 -39.54 61.81 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.473 -0.767 . . . . 10.0 109.291 178.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -57.88 -48.75 78.93 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.324 0.583 . . . . 10.0 109.529 178.945 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 mt -65.26 -34.72 79.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.93 -0.481 . . . . 10.0 110.563 179.739 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.7 -43.98 97.81 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.237 -0.915 . . . . 10.0 110.24 179.736 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.27 -33.56 73.41 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.615 -0.678 . . . . 10.0 110.411 179.673 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -72.9 -14.59 61.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.464 -0.773 . . . . 10.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.43 37.14 0.9 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.166 -0.959 . . . . 10.0 110.758 -179.952 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 30.3 ttp -111.06 114.31 53.94 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.208 -0.933 . . . . 10.0 109.885 179.664 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -72.4 175.6 9.83 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 O-C-N 123.83 1.437 . . . . 10.0 111.268 -179.905 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.56 -48.48 5.24 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.621 -0.674 . . . . 10.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 N--CA 1.502 2.157 0 CA-C-O 118.207 -0.901 . . . . 10.0 110.883 -179.861 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 120.977 0.418 . . . . 10.0 110.486 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 62.96 -126.05 35.96 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.784 -1.326 . . . . 10.0 109.784 179.965 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -86.14 84.75 7.42 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.494 -1.003 . . . . 10.0 109.714 179.617 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -97.78 11.68 36.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.462 -0.774 . . . . 10.0 111.081 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' O ' HG22 ' A' ' 8' ' ' ILE . 2.0 tt -66.64 -41.22 88.62 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.044 -1.035 . . . . 10.0 109.823 179.534 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -75.64 -30.86 59.6 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.386 -0.821 . . . . 10.0 109.194 178.67 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.23 -36.46 84.14 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.811 -0.556 . . . . 10.0 110.41 179.467 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 5' ' ' LEU . 4.8 tt -64.34 -32.66 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.417 -0.802 . . . . 10.0 110.54 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.469 ' HA ' HD12 ' A' ' 12' ' ' ILE . 18.1 t-105 -59.84 -38.88 83.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.381 -0.824 . . . . 10.0 110.469 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -59.15 -47.27 85.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.529 -0.732 . . . . 10.0 110.07 179.505 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.5 -39.35 88.64 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.46 -0.775 . . . . 10.0 109.865 179.294 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 9' ' ' TRP . 50.8 mt -58.23 -36.93 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.409 -0.807 . . . . 10.0 109.222 179.042 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.3 t -70.09 -34.67 73.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.619 -0.676 . . . . 10.0 109.576 178.747 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -64.52 -38.05 89.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.55 -0.719 . . . . 10.0 109.854 179.144 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.63 -34.88 63.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.643 -0.661 . . . . 10.0 109.626 179.344 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 tt -60.73 -50.22 74.36 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.495 -0.753 . . . . 10.0 109.526 179.209 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -67.58 -36.13 80.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.509 -0.744 . . . . 10.0 109.52 178.806 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -64.39 -44.63 90.71 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.614 -0.679 . . . . 10.0 109.752 179.166 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -36.5 73.53 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.559 -0.713 . . . . 10.0 109.435 178.91 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -63.75 -38.62 91.78 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.757 -0.589 . . . . 10.0 109.624 178.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m -71.66 -36.63 70.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.448 -0.782 . . . . 10.0 109.665 179.124 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 40.6 t90 -58.77 -52.87 63.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.593 -0.692 . . . . 10.0 109.411 179.292 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.56 -36.79 85.36 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.939 -0.475 . . . . 10.0 110.289 179.778 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -69.45 -43.14 73.88 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.513 -0.742 . . . . 10.0 109.806 179.288 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.09 82.39 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.524 -0.735 . . . . 10.0 110.3 179.357 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -27.9 65.57 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.327 -0.858 . . . . 10.0 110.456 179.595 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 tp -85.04 -18.56 34.0 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.367 -0.833 . . . . 10.0 110.936 179.934 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.548 ' HB2' ' HD3' ' A' ' 29' ' ' PRO . 64.9 mmm -57.46 -53.71 62.63 Favored Pre-proline 0 N--CA 1.499 2.018 0 O-C-N 121.315 -0.866 . . . . 10.0 111.202 -179.622 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 28' ' ' MET . 46.4 Cg_endo -74.15 -94.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.486 1.042 0 O-C-N 123.371 1.195 . . . . 10.0 110.56 179.891 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.16 -43.01 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.109 -0.994 . . . . 10.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 117.932 -1.032 . . . . 10.0 110.063 179.835 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.064 0.459 . . . . 10.0 110.288 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.66 -143.65 21.71 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.585 -1.406 . . . . 10.0 109.585 -179.923 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p 38.24 50.23 1.4 Allowed 'General case' 0 N--CA 1.506 2.327 0 O-C-N 122.024 -0.691 . . . . 10.0 111.516 179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.467 ' CZ2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -109.59 -155.16 0.55 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.349 -0.845 . . . . 10.0 110.043 179.692 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt 69.91 -63.86 0.37 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.591 -0.693 . . . . 10.0 110.151 -179.34 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -40.98 89.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.269 -0.894 . . . . 10.0 109.57 179.054 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -74.85 -33.46 62.13 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 10.0 110.015 179.177 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.467 HD11 ' CZ2' ' A' ' 4' ' ' TRP . 39.4 mm -62.93 -45.21 99.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.421 -0.8 . . . . 10.0 109.83 179.606 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -57.89 -38.56 76.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.452 -0.78 . . . . 10.0 109.391 178.991 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.89 -39.52 69.53 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.661 -0.649 . . . . 10.0 109.663 178.995 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -63.08 -44.52 95.5 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.529 -0.732 . . . . 10.0 109.961 179.405 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -56.04 -37.21 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.742 . . . . 10.0 109.524 179.204 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.1 t -72.66 -36.72 68.0 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.498 -0.751 . . . . 10.0 109.943 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -38.13 89.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.439 -0.788 . . . . 10.0 110.051 179.389 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 87.4 t -72.19 -27.62 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.513 -0.742 . . . . 10.0 109.839 179.216 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -41.19 40.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.452 -0.78 . . . . 10.0 110.731 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.3 p -65.35 -46.88 78.42 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.343 -0.848 . . . . 10.0 110.17 179.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.81 -33.68 74.57 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.522 -0.736 . . . . 10.0 110.244 179.548 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -38.01 55.27 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.654 -0.654 . . . . 10.0 110.045 179.277 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -69.41 -49.01 59.16 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 10.0 109.683 179.322 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 m -65.07 -38.42 90.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.553 -0.717 . . . . 10.0 109.962 179.469 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.435 ' HE3' HD12 ' A' ' 23' ' ' LEU . 19.9 t90 -55.2 -50.56 69.09 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.572 -0.705 . . . . 10.0 109.645 179.179 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD12 ' HE3' ' A' ' 22' ' ' TRP . 1.5 mp -67.58 -39.51 84.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.801 -0.562 . . . . 10.0 110.209 179.394 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -65.37 -39.05 91.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.535 -0.728 . . . . 10.0 110.231 179.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.48 -27.5 69.02 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.541 -0.724 . . . . 10.0 110.49 179.569 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -90.25 -28.89 18.53 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.285 -0.884 . . . . 10.0 110.624 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.38 -41.97 12.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.306 -0.871 . . . . 10.0 110.702 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.1 mtm -99.92 112.47 63.94 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.402 -0.811 . . . . 10.0 110.398 -179.856 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -78.0 -171.99 1.36 Allowed 'Trans proline' 0 C--N 1.315 -1.19 0 O-C-N 123.804 1.423 . . . . 10.0 110.999 179.813 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -90.49 -174.51 4.15 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.427 -0.796 . . . . 10.0 110.252 179.673 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 CA-C-O 117.835 -1.079 . . . . 10.0 110.197 179.831 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 121.094 0.473 . . . . 10.0 110.461 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.54 -141.28 3.15 Favored Glycine 0 N--CA 1.496 2.652 0 N-CA-C 109.749 -1.341 . . . . 10.0 109.749 179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 p -82.16 94.88 7.35 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.509 -0.995 . . . . 10.0 110.186 179.919 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.89 3.95 24.85 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.333 -0.854 . . . . 10.0 111.053 -180.0 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.96 -50.81 63.04 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.132 -0.98 . . . . 10.0 109.675 179.461 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -35.4 80.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.514 -0.741 . . . . 10.0 109.644 179.001 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.01 -50.74 71.79 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.566 -0.708 . . . . 10.0 109.854 179.274 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -63.36 -52.29 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.704 -0.622 . . . . 10.0 110.072 179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.483 ' HA ' HD12 ' A' ' 12' ' ' ILE . 17.6 t-105 -57.7 -40.0 78.48 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.513 -0.742 . . . . 10.0 110.625 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.18 -45.94 91.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.652 -0.655 . . . . 10.0 109.912 179.517 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.7 t90 -63.44 -40.83 98.2 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.496 -0.753 . . . . 10.0 109.884 179.273 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 9' ' ' TRP . 43.4 mt -61.25 -36.34 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.502 -0.749 . . . . 10.0 109.6 179.274 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.1 t -68.41 -38.74 81.54 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.539 -0.726 . . . . 10.0 110.02 179.29 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -34.43 78.07 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.513 -0.742 . . . . 10.0 110.259 179.649 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.56 -29.51 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.599 -0.688 . . . . 10.0 110.409 179.742 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.13 -56.38 22.51 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.456 -0.778 . . . . 10.0 110.106 -179.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -64.58 -36.66 84.94 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.416 -0.803 . . . . 10.0 109.717 179.321 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.04 -37.99 89.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.602 -0.687 . . . . 10.0 110.015 179.294 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -41.44 60.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.519 -0.738 . . . . 10.0 109.732 179.481 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -62.06 -48.64 79.32 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.818 -0.552 . . . . 10.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -72.75 -32.44 65.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.373 -0.829 . . . . 10.0 110.265 179.488 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -56.75 -50.27 72.73 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.524 -0.735 . . . . 10.0 109.384 179.085 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -40.39 96.62 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 120.518 -0.473 . . . . 10.0 109.83 179.199 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -64.94 -39.9 94.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.515 -0.741 . . . . 10.0 109.783 179.363 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.5 -24.44 63.76 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.513 -0.742 . . . . 10.0 110.258 179.358 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -69.68 -45.89 67.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.38 -0.825 . . . . 10.0 110.486 179.753 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -101.54 119.81 39.34 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.397 -0.815 . . . . 10.0 110.278 179.925 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.62 82.44 14.07 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.582 -0.698 . . . . 10.0 110.152 179.963 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -75.07 -176.7 3.02 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 O-C-N 123.758 1.399 . . . . 10.0 111.043 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -127.23 84.41 2.26 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.546 -0.722 . . . . 10.0 109.832 179.731 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 117.892 -1.052 . . . . 10.0 110.233 -179.915 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.933 0.397 . . . . 10.0 110.355 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.74 -161.94 27.42 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.577 -1.409 . . . . 10.0 109.577 -179.844 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -105.03 21.6 16.8 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.417 -1.049 . . . . 10.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.732 ' CE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -102.92 -31.92 10.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.108 -0.995 . . . . 10.0 110.585 179.872 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -37.24 71.1 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.42 -0.8 . . . . 10.0 110.247 179.59 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 7' ' ' ASP . 0.5 OUTLIER -55.48 -41.64 73.27 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.427 -0.796 . . . . 10.0 109.819 179.172 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' N ' ' HD3' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -78.99 -38.53 36.57 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.66 -0.65 . . . . 10.0 110.211 179.842 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.732 HD11 ' CE3' ' A' ' 4' ' ' TRP . 57.7 mt -66.46 -50.27 68.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.444 -0.785 . . . . 10.0 109.93 179.862 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.8 t-105 -60.23 -34.71 74.05 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.494 -0.754 . . . . 10.0 109.796 179.333 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.56 -48.18 82.92 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.65 -0.656 . . . . 10.0 109.816 179.18 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -68.47 -40.55 80.97 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.452 -0.78 . . . . 10.0 109.537 179.057 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.4 mt -60.5 -36.19 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.493 -0.754 . . . . 10.0 109.104 178.885 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 t -65.44 -37.58 87.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.482 -0.761 . . . . 10.0 109.413 178.645 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.78 -48.1 80.62 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.59 -0.694 . . . . 10.0 109.275 178.753 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.0 t -70.3 -34.15 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.913 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.2 tp -57.06 -38.4 73.2 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.584 -0.697 . . . . 10.0 110.281 179.738 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.15 -44.34 87.82 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.4 -0.813 . . . . 10.0 109.491 179.39 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -75.83 -43.3 46.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.578 -0.701 . . . . 10.0 109.467 178.815 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.06 -42.72 69.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.701 -0.624 . . . . 10.0 109.766 179.456 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -60.23 -43.54 95.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.668 -0.645 . . . . 10.0 109.985 179.166 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 m -74.26 -39.9 62.7 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.39 -0.819 . . . . 10.0 109.696 179.246 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -57.5 -51.01 71.21 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.669 -0.645 . . . . 10.0 109.449 179.08 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -36.18 81.89 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.879 -0.513 . . . . 10.0 109.963 179.244 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -59.79 -35.76 75.33 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.486 -0.759 . . . . 10.0 110.209 179.421 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.66 -26.38 57.62 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.458 -0.776 . . . . 10.0 110.601 179.645 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -42.05 13.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.252 -0.905 . . . . 10.0 110.493 -179.96 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.75 145.84 50.2 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.397 -0.814 . . . . 10.0 110.505 -179.946 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.658 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 7.1 ttt -171.1 -58.57 0.0 OUTLIER Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.408 -0.808 . . . . 10.0 110.846 179.775 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.658 ' HD3' ' HB3' ' A' ' 28' ' ' MET . 45.5 Cg_endo -71.52 -174.14 1.17 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.104 1.055 . . . . 10.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 56.39 58.85 3.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.676 -0.64 . . . . 10.0 110.383 179.917 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.532 -1.223 . . . . 10.0 110.477 -179.823 . . . . . . . . 1 1 . 1 stop_ save_